SCHEMBL962657

SCHEMBL962657

COCCn1/c(=N/C(=O)C23CC4CC(CC2C4)C3)sc2cc(F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.58
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 7/20 0.45
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
RXFP1 Q9HBX9 4/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 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
SCHEMBL962659 1.00 NPSR1 (0.58) NPSR1KCNQ3KCNQ2CNR1CNR2
SCHEMBL961457 0.93 NPSR1 (0.49) NPSR1KCNQ3KCNQ2CNR1CNR2
SCHEMBL961459 0.93 NPSR1 (0.49) NPSR1KCNQ3KCNQ2CNR1CNR2
SCHEMBL962242 0.89 KCNQ3 (0.46) NPSR1KCNQ3KCNQ2CNR1CNR2
SCHEMBL962240 0.89 KCNQ3 (0.46) NPSR1KCNQ3KCNQ2CNR1CNR2
SCHEMBL962469 0.81 CA12 (0.39) NPSR1KCNQ3KCNQ2CNR2ALDH1A1
SCHEMBL965831 0.81 CA12 (0.39) NPSR1KCNQ3KCNQ2CNR2ALDH1A1
SCHEMBL1614055 0.80 CNR2 (0.39) NPSR1KCNQ3KCNQ2CNR1CNR2
SCHEMBL1614053 0.80 CNR2 (0.39) NPSR1KCNQ3KCNQ2CNR1CNR2
SCHEMBL5127454 0.78 NPSR1 (0.64) NPSR1CNR1CNR2KMT2AHPGD

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 NPSR1 8/4885KCNQ3 1246/4885KCNQ2 1238/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPSR1 8/4885KCNQ3 1246/4885KCNQ2 1238/4885
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 NPSR1 183/4885KCNQ3 1366/4885KCNQ2 1816/4885

“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.