SCHEMBL961854

SCHEMBL961854

COCCn1/c(=N/C(=O)C23CC4CC(CC(C4)C2)C3)sc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
ALDH1A1 P00352 7/20 0.59
HPGD P15428 7/20 0.59
NPSR1 Q6W5P4 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 2/20 0.59
RAB9A P51151 1/20 0.58
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
MDM2 Q00987 1/20 0.53
MAPT P10636 2/20 0.51
RXFP1 Q9HBX9 2/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL961855 1.00 KDM4E (0.59) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL966963 0.84 CNR2 (0.74) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL966964 0.84 CNR2 (0.74) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL964314 0.78 CNR2 (0.78) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL964313 0.78 CNR2 (0.78) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL962659 0.76 NPSR1 (0.58) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL962657 0.76 NPSR1 (0.58) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL961886 0.74 CNR2 (0.61) ALDH1A1HPGDSMN1; SMN2RAB9ACNR1
SCHEMBL961884 0.74 CNR2 (0.61) ALDH1A1HPGDSMN1; SMN2RAB9ACNR1
SCHEMBL967095 0.72 CNR2 (0.45) ALDH1A1SMN1; SMN2RAB9ACNR1CNR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 US claimed
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 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 (3 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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KDM4E 1976/4885ALDH1A1 1171/4885HPGD 1938/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KDM4E 1976/4885ALDH1A1 1171/4885HPGD 1938/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 KDM4E 3198/4885ALDH1A1 81/4885HPGD 676/4885

“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.