SCHEMBL961468

SCHEMBL961468

COCCn1cc(-c2ccc(C#N)cc2)sc1=NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.41
CNR1 P21554 1/20 0.41
PGR P06401 3/20 0.37
HSD11B1 P28845 2/20 0.35
EPHX2 P34913 1/20 0.34
KCNQ3 O43525 4/20 0.33
KCNQ2 O43526 4/20 0.33
IKBKB O14920 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL961466 1.00 CNR2 (0.41) CNR2CNR1PGRHSD11B1EPHX2
SCHEMBL964281 0.91 CNR2 (0.41) CNR2CNR1HSD11B1KCNQ3KCNQ2
SCHEMBL964283 0.91 CNR2 (0.41) CNR2CNR1HSD11B1KCNQ3KCNQ2
SCHEMBL962271 0.89 CNR2 (0.43) CNR2CNR1HSD11B1KCNQ3KCNQ2
SCHEMBL962269 0.89 CNR2 (0.43) CNR2CNR1HSD11B1KCNQ3KCNQ2
SCHEMBL5047212 0.88 CNR2 (0.39) CNR2CNR1PGRHSD11B1IKBKB
SCHEMBL964172 0.88 CNR2 (0.43) CNR2CNR1HSD11B1KCNQ3KCNQ2
SCHEMBL962837 0.88 CNR2 (0.43) CNR2CNR1HSD11B1KCNQ3KCNQ2
SCHEMBL964171 0.88 CNR2 (0.43) CNR2CNR1HSD11B1KCNQ3KCNQ2
SCHEMBL962838 0.88 CNR2 (0.43) CNR2CNR1HSD11B1KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885PGR 316/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885PGR 316/4885
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 10/4885PGR 3621/4885

“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.