SCHEMBL3387532

SCHEMBL3387532

COc1ccc(Cl)cc1C(=O)Nc1nc(C)c(C(C)(C)O)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 4/20 0.56
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MAPT P10636 4/20 0.54
NPC1 O15118 4/20 0.54
DCLK1 O15075 1/20 0.48
FES P07332 1/20 0.48
PIM1 P11309 1/20 0.48
CDK2 P24941 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
IRAK1 P51617 1/20 0.48
MAP4K2 Q12851 1/20 0.48
NTRK3 Q16288 1/20 0.48
HIPK4 Q8NE63 1/20 0.48

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
SCHEMBL944850 0.92 KCNMA1 (0.57) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3385210 0.89 KCNMA1 (0.53) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL945105 0.82 RAB9A (0.71) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL345233 0.78 KCNMA1 (0.65) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL345604 0.78 KCNMA1 (0.61) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL345091 0.77 KCNMA1 (0.67) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL344352 0.76 ALDH1A1 (0.67) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL945415 0.76 GCK (0.70) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4916732 0.76 NPC1 (0.74) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19566127 0.75 KDM4E (0.60) KCNMA1ALDH1A1KDM4EHPGDHSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
CN-101925300-A Novel compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB 2010-12-22 CN disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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 (2 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KCNMA1 1529/4885ALDH1A1 898/4885KDM4E 2095/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KCNMA1 1557/4885ALDH1A1 914/4885KDM4E 2535/4885

“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.