SCHEMBL1056019

SCHEMBL1056019

COCCn1cc(-c2cccc(OC(F)(F)F)c2)sc1=NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.45
KCNQ2 O43526 9/20 0.45
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
EPHX2 P34913 1/20 0.38
PIM1 P11309 1/20 0.37
TYRO3 Q06418 1/20 0.34
SERPINE1 P05121 1/20 0.34
RIPK1 Q13546 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLQ O75417 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 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
SCHEMBL1056017 1.00 KCNQ3 (0.45) KCNQ3KCNQ2CNR2CNR1EPHX2
SCHEMBL963092 0.88 CNR2 (0.42) KCNQ3KCNQ2CNR2CNR1RIPK1
SCHEMBL963093 0.88 CNR2 (0.42) KCNQ3KCNQ2CNR2CNR1RIPK1
SCHEMBL962669 0.88 CNR2 (0.48) KCNQ3KCNQ2CNR2CNR1ALDH1A1
SCHEMBL962670 0.88 CNR2 (0.48) KCNQ3KCNQ2CNR2CNR1ALDH1A1
SCHEMBL961152 0.86 CNR2 (0.42) KCNQ3KCNQ2CNR2CNR1TYRO3
SCHEMBL961155 0.86 CNR2 (0.42) KCNQ3KCNQ2CNR2CNR1TYRO3
SCHEMBL964171 0.84 CNR2 (0.43) KCNQ3KCNQ2CNR2CNR1ALDH1A1
SCHEMBL964172 0.84 CNR2 (0.43) KCNQ3KCNQ2CNR2CNR1ALDH1A1
SCHEMBL964281 0.84 CNR2 (0.41) KCNQ3KCNQ2CNR2CNR1ALDH1A1

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
EP-2024349-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-02-18 EP claimed
WO-2007140439-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO claimed
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.