SCHEMBL966964

SCHEMBL966964

COCCn1c(=NC(=O)C23CC4CC(CC(C4)C2)C3)sc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.74
CNR1 P21554 1/20 0.74
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 5/20 0.44
KDM4E B2RXH2 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 2/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL966963 1.00 CNR2 (0.74) CNR2CNR1KCNQ3KCNQ2KMT2A
SCHEMBL964313 0.94 CNR2 (0.78) CNR2CNR1KCNQ3KCNQ2KMT2A
SCHEMBL964314 0.94 CNR2 (0.78) CNR2CNR1KCNQ3KCNQ2KMT2A
SCHEMBL961830 0.86 CNR2 (0.94) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961828 0.86 CNR2 (0.94) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961846 0.85 CNR2 (0.55) CNR2CNR1KCNQ3KCNQ2KMT2A
SCHEMBL961847 0.85 CNR2 (0.55) CNR2CNR1KCNQ3KCNQ2KMT2A
SCHEMBL961855 0.84 KDM4E (0.59) CNR2CNR1KMT2AALDH1A1HPGD
SCHEMBL961854 0.84 KDM4E (0.59) CNR2CNR1KMT2AALDH1A1HPGD
SCHEMBL966320 0.83 CNR2 (0.53) CNR2CNR1KCNQ3KCNQ2KMT2A

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.