SCHEMBL962815

SCHEMBL962815

CCn1c(C)c(C)sc1=NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.51
CNR1 P21554 5/20 0.51
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 3/20 0.37
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL962813 1.00 CNR2 (0.51) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL963814 0.87 CNR2 (0.47) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961900 0.87 CNR2 (0.49) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL963816 0.87 CNR2 (0.47) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961901 0.87 CNR2 (0.49) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL967060 0.87 CNR2 (0.47) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL967059 0.87 CNR2 (0.47) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL962313 0.85 CNR2 (0.53) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL962311 0.85 CNR2 (0.53) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961185 0.85 CNR2 (0.50) CNR2CNR1KCNQ3KCNQ2ALDH1A1

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 CNR2 2/4885CNR1 1/4885KCNQ3 1246/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885KCNQ3 1246/4885
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 CNR2 5/4885CNR1 10/4885KCNQ3 1366/4885

“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.