SCHEMBL8716246

SCHEMBL8716246

CC(C)C1C(=O)CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.47
HTR2A P28223 3/20 0.46
ACP3 P15309 1/20 0.42
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
SRD5A1 P18405 2/20 0.41
RET P07949 1/20 0.40
ANPEP P15144 2/20 0.39
PDPK1 O15530 1/20 0.38
TACR1 P25103 1/20 0.38
HTR6 P50406 1/20 0.37
CYP3A4 P08684 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23605201 0.86 PRCP (0.55) PRCPHTR2AACP3CHRM1DRD2
SCHEMBL20148794 0.83 HTR2A (0.56) PRCPHTR2AHTR2CHRH1ANPEP
SCHEMBL9827245 0.76 SRD5A1 (0.46) HTR2AHTR2CSRD5A1
SCHEMBL8356066 0.76 SRD5A1 (0.46) HTR2AHTR2CSRD5A1CYP2D6
SCHEMBL6885233 0.76 SRD5A1 (0.46) HTR2AHTR2CSRD5A1CYP2D6
SCHEMBL8355719 0.76 SRD5A1 (0.46) HTR2AHTR2CSRD5A1CYP2D6
SCHEMBL948086 0.75 ACP3 (0.46) PRCPHTR2AACP3CHRM1DRD2
SCHEMBL10754709 0.75 HTR2A (0.50) PRCPHTR2AACP3CHRM1DRD2
SCHEMBL9385590 0.74 ACP3 (0.48) HTR2AACP3SRD5A1RETANPEP
SCHEMBL20014834 0.73 HTR2A (0.43) PRCPHTR2AACP3CHRM1DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685740-B2 Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2023-06-27 US disclosed
US-11685740-B2 Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2023-06-27 US disclosed
US-11638717-B2 Complex of nucleic acid medicine and multibranched lipid SHIONOGI & CO., LTD. (JP) 2023-05-02 US disclosed
US-11578084-B2 Condensed ring compounds having dopamine D3 receptor antagonistic effect SHIONOGI & CO., LTD. (JP) 2023-02-14 US disclosed
US-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2022-05-31 US disclosed
US-20210317125-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2021-10-14 US disclosed
US-11124486-B2 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2021-09-21 US disclosed
US-10940201-B2 Nucleic acid derivative having immunostimulatory activity SHIONOGI & CO., LTD. (JP) 2021-03-09 US disclosed
US-20210047315-A1 CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-02-18 US disclosed
US-20210040117-A1 CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-02-11 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
US-20160200721-A1 AROMATIC HETEROCYCLYLAMINE DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2016-07-14 US disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 US disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20150266865-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-09-24 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-02-05 US disclosed
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-18 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
WO-1998049149-A1 PREPARATION OF MIBEFRADIL I F. HOFFMANN-LA ROCHE AG (CH) 1998-11-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 PRCP 1065/4885HTR2A 227/4885ACP3 2786/4885
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY PTGDR, PTGDR2, PTGER4 PRCP 2431/4885HTR2A 171/4885ACP3 2689/4885
US-20210047315-A1 CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT DRD3, DRD2, DRD1 PRCP 1574/4885HTR2A 324/4885ACP3 3068/4885
US-11638717-B2 Complex of nucleic acid medicine and multibranched lipid FABP1, POLRMT, SREBF1 PRCP 2851/4885HTR2A 4501/4885ACP3 1260/4885
US-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA PRCP 2908/4885HTR2A 2865/4885ACP3 4311/4885
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 PRCP 3958/4885HTR2A 1560/4885ACP3 2502/4885
US-11124486-B2 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S PRCP 710/4885HTR2A 629/4885ACP3 3158/4885
US-11685740-B2 Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same P2RX7, P2RX2, P2RX1 PRCP 2199/4885HTR2A 224/4885ACP3 4503/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 PRCP 3575/4885HTR2A 2148/4885ACP3 4397/4885
US-20150266865-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, APP, BACE2 PRCP 186/4885HTR2A 1250/4885ACP3 4395/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 PRCP 3038/4885HTR2A 304/4885ACP3 4256/4885
US-10940201-B2 Nucleic acid derivative having immunostimulatory activity TLR9, STING1, TLR3 PRCP 3949/4885HTR2A 4495/4885ACP3 1800/4885
US-20160200721-A1 AROMATIC HETEROCYCLYLAMINE DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPM4, TRPC4 PRCP 3039/4885HTR2A 820/4885ACP3 4682/4885
US-20210040117-A1 CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT DRD3, DRD2, DRD1 PRCP 2427/4885HTR2A 159/4885ACP3 3327/4885
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES ACSS2, ACACB, ADCY2 PRCP 2839/4885HTR2A 1441/4885ACP3 2614/4885
US-20210317125-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX7, P2RX2, P2RX1 PRCP 2199/4885HTR2A 224/4885ACP3 4503/4885
US-11578084-B2 Condensed ring compounds having dopamine D3 receptor antagonistic effect DRD3, DRD2, DRD1 PRCP 2427/4885HTR2A 159/4885ACP3 3327/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.