SCHEMBL963736

SCHEMBL963736

COCCn1cc(Cc2cccc(F)c2)sc1=NC(=O)C12CC3CC(CC1C3)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
HRH2 P25021 1/20 0.35
CNR2 P34972 9/20 0.34
CNR1 P21554 3/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
HPGD P15428 1/20 0.33
HSD11B1 P28845 1/20 0.33
SCD O00767 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL965179 1.00 OPRK1 (0.36) OPRK1HRH2CNR2CNR1KCNQ3
SCHEMBL962730 0.90 KCNQ3 (0.35) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL965872 0.90 KCNQ3 (0.35) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL963390 0.85 CNR2 (0.39) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL963392 0.85 CNR2 (0.39) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL965601 0.82 CNR2 (0.36) CNR2CNR1HSD11B1
SCHEMBL965603 0.82 CNR2 (0.36) CNR2CNR1HSD11B1
SCHEMBL963266 0.81 CNR2 (0.34) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL963264 0.81 CNR2 (0.34) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL1614055 0.81 CNR2 (0.39) CNR2CNR1KCNQ3KCNQ2HSD11B1

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 OPRK1 6/4885HRH2 233/4885CNR2 2/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 OPRK1 6/4885HRH2 233/4885CNR2 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 OPRK1 2/4885HRH2 82/4885CNR2 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.