Sugi Predict

Sugi Predict / Compounds / SCHEMBL964172

SCHEMBL964172

SCHEMBL964172

COCCn1cc(-c2ccc(F)cc2)sc1=NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ KCNQ3 O43525 6/20 0.39
▸ KCNQ2 O43526 6/20 0.39
▸ HSD11B1 P28845 1/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL964171 1.00 CNR2 (0.43) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL962271 0.91 CNR2 (0.43) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL962269 0.91 CNR2 (0.43) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL963093 0.91 CNR2 (0.42) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL963092 0.91 CNR2 (0.42) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL962837 0.90 CNR2 (0.43) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL962838 0.90 CNR2 (0.43) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL962669 0.90 CNR2 (0.48) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL962670 0.90 CNR2 (0.48) CNR2CNR1KCNQ3KCNQ2HSD11B1
SCHEMBL963128 0.89 CNR2 (0.43) 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 6 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

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.