SCHEMBL964281

SCHEMBL964281

COCCn1cc(-c2cccc(C#N)c2)s/c1=N\C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
CNR1 P21554 2/20 0.41
FAAH O00519 1/20 0.38
MCHR1 Q99705 1/20 0.36
BACE1 P56817 3/20 0.35
ALOX12 P18054 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM3 P20309 1/20 0.33
GRM5 P41594 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HSD11B1 P28845 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
SCHEMBL964283 1.00 CNR2 (0.41) CNR2CNR1FAAHMCHR1BACE1
SCHEMBL961466 0.91 CNR2 (0.41) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL961468 0.91 CNR2 (0.41) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL962669 0.88 CNR2 (0.48) CNR2CNR1ALDH1A1KCNQ3KCNQ2
SCHEMBL963093 0.87 CNR2 (0.42) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL961152 0.87 CNR2 (0.42) CNR2CNR1ALDH1A1KCNQ3KCNQ2
SCHEMBL963092 0.87 CNR2 (0.42) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL961155 0.87 CNR2 (0.42) CNR2CNR1ALDH1A1KCNQ3KCNQ2
SCHEMBL1056019 0.84 KCNQ3 (0.45) CNR2CNR1ALDH1A1KCNQ3KCNQ2
SCHEMBL1056017 0.84 KCNQ3 (0.45) CNR2CNR1ALDH1A1KCNQ3KCNQ2

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 1/4885FAAH 16/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885FAAH 16/4885
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 10/4885FAAH 137/4885

“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.