SCHEMBL965872

SCHEMBL965872

COCCn1cc(Cc2ccc(F)cc2)s/c1=N\C(=O)C12CC3CC(CC1C3)C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
CNR2 P34972 10/20 0.34
HSD11B1 P28845 3/20 0.34
CNR1 P21554 3/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL962730 1.00 KCNQ3 (0.35) KCNQ3KCNQ2CNR2HSD11B1CNR1
SCHEMBL965179 0.90 OPRK1 (0.36) KCNQ3KCNQ2CNR2HSD11B1CNR1
SCHEMBL963736 0.90 OPRK1 (0.36) KCNQ3KCNQ2CNR2HSD11B1CNR1
SCHEMBL963392 0.86 CNR2 (0.39) KCNQ3KCNQ2CNR2HSD11B1CNR1
SCHEMBL963390 0.86 CNR2 (0.39) KCNQ3KCNQ2CNR2HSD11B1CNR1
SCHEMBL965601 0.85 CNR2 (0.36) CNR2HSD11B1CNR1
SCHEMBL965603 0.85 CNR2 (0.36) CNR2HSD11B1CNR1
SCHEMBL963264 0.84 CNR2 (0.34) KCNQ3KCNQ2CNR2HSD11B1CNR1
SCHEMBL963266 0.84 CNR2 (0.34) KCNQ3KCNQ2CNR2HSD11B1CNR1
SCHEMBL1614053 0.82 CNR2 (0.39) KCNQ3KCNQ2CNR2HSD11B1CNR1

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 KCNQ3 1246/4885KCNQ2 1238/4885CNR2 2/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KCNQ3 1246/4885KCNQ2 1238/4885CNR2 2/4885
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 KCNQ3 1366/4885KCNQ2 1816/4885CNR2 5/4885

“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.