SCHEMBL8261111

SCHEMBL8261111

CC(C)N1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
CHRNA7 P36544 1/20 0.56
HTR1A P08908 1/20 0.56
DRD2 P14416 3/20 0.55
DRD1 P21728 3/20 0.55
DRD4 P21917 3/20 0.55
DRD5 P21918 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
DRD3 P35462 2/20 0.55
GMNN O75496 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ADRA1D P25100 1/20 0.55
CYP2C19 P33261 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
MTOR P42345 1/20 0.55

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
SCHEMBL13203882 0.89 KDM4E (0.62) KDM4ECHRNA7HTR1ADRD2DRD1
SCHEMBL13194931 0.87 CHRNA7 (0.69) KDM4ECHRNA7DRD2DRD1DRD4
SCHEMBL2184362 0.86 KDM4E (0.59) KDM4EGPX4TRPV1FAAH
SCHEMBL12956428 0.85 KDM4E (0.62) KDM4ECHRNA7HTR1ADRD2DRD1
SCHEMBL1055807 0.82 KDM4E (1.00) KDM4ECHRNA7HTR1ADRD2DRD1
SCHEMBL15131140 0.81 KDM4E (0.57) KDM4ECHRNA7HTR1ADRD2DRD1
SCHEMBL17993835 0.80 KDM4E (0.46) KDM4ETRPV1
SCHEMBL2184755 0.80 KDM4E (0.56) KDM4EGPX4TRPV1FAAH
SCHEMBL3883560 0.79 BAZ2B (0.54) KDM4EDRD2DRD1DRD5DRD3
SCHEMBL16624301 0.79 BAZ2B (0.54) KDM4EADRA1DADRA1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-31 US disclosed
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-31 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
US-20210198263-A1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2021-07-01 US disclosed
US-20200062790-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-27 US disclosed
US-9873702-B2 Heterocyclic compounds as biogenic amine transport modulators SOUTHERN RESEARCH INSTITUTE (US) 2018-01-23 US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed
US-20040138235-A1 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders SCHERING CORPORATION 2004-07-15 US 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 (10 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 KDM4E 3630/4885CHRNA7 3904/4885HTR1A 397/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH KDM4E 3629/4885CHRNA7 4207/4885HTR1A 3009/4885
US-20210198263-A1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS USP30, UCHL1, ADRM1 KDM4E 2992/4885CHRNA7 3195/4885HTR1A 4089/4885
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS BCHE, ACHE, CHAT KDM4E 1130/4885CHRNA7 31/4885HTR1A 2783/4885
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H KDM4E 3594/4885CHRNA7 776/4885HTR1A 1076/4885
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR KDM4E 3327/4885CHRNA7 895/4885HTR1A 417/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 KDM4E 986/4885CHRNA7 278/4885HTR1A 21/4885
US-20200062790-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 KDM4E 4525/4885CHRNA7 3450/4885HTR1A 1497/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH KDM4E 3949/4885CHRNA7 4244/4885HTR1A 2556/4885
US-20040138235-A1 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders ADORA2A, ADORA3, ADORA2B KDM4E 4046/4885CHRNA7 126/4885HTR1A 7/4885

“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.