SCHEMBL961828

SCHEMBL961828

CCCCn1/c(=N/C(=O)C23CC4CC(CC(C4)C2)C3)sc2ccccc21

nearest known ligand 0.94

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.94
CNR1 P21554 8/20 0.94
KCNQ3 O43525 2/20 0.58
KCNQ2 O43526 2/20 0.58
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL961830 1.00 CNR2 (0.94) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL964313 0.89 CNR2 (0.78) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL964314 0.89 CNR2 (0.78) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL966964 0.86 CNR2 (0.74) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL966963 0.86 CNR2 (0.74) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL17007607 0.84 CNR1 (0.70) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL17007608 0.84 CNR1 (0.70) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL963166 0.83 CNR1 (0.70) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL963167 0.83 CNR1 (0.70) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL964561 0.83 KCNQ3 (0.69) CNR2CNR1KCNQ3KCNQ2ALDH1A1

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 9 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
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
WO-2007140439-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO 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 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.