SCHEMBL945302

SCHEMBL945302

COc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)C(C)(C)OCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ KCNMA1 Q12791 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ NPC1 O15118 5/20 0.47
▸ TP53 P04637 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ DCLK1 O15075 1/20 0.44
▸ FES P07332 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ IRAK1 P51617 1/20 0.44

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
SCHEMBL3384383 0.80 KCNMA1 (0.54) MAPTKDM4ENPSR1GAARXFP1
SCHEMBL3387385 0.78 MAPT (0.54) MAPTKDM4ENPSR1GAARXFP1
SCHEMBL3643014 0.78 MAPT (0.58) MAPTKDM4ENPSR1GAARXFP1
SCHEMBL3639753 0.78 MAPT (0.54) MAPTKDM4ENPSR1GAARXFP1
SCHEMBL3384688 0.78 MAPT (0.70) MAPTKDM4ENPSR1GAARXFP1
SCHEMBL4898350 0.74 MAPT (0.53) MAPTKDM4ENPSR1GAARXFP1
SCHEMBL945105 0.73 RAB9A (0.71) MAPTKDM4ENPSR1GAARXFP1
SCHEMBL345091 0.72 KCNMA1 (0.67) MAPTKDM4ENPSR1GAARXFP1
SCHEMBL2814341 0.72 ALDH1A1 (0.64) MAPTKDM4ENPSR1GAARXFP1
SCHEMBL4916732 0.71 NPC1 (0.74) MAPTKDM4ENPSR1GAARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 — — US disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 — — US disclosed
US-8735434-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-05-27 — — 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
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 — — US disclosed
US-7875640-B2 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-25 — — US 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
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 — — EP disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 — — WO disclosed
US-20080287510-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-11-20 — — US disclosed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 — — WO disclosed
US-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2008-10-02 — — US 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 (5 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-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TRPV1 MAPT 3129/4885KDM4E 2588/4885NPSR1 81/4885
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 MAPT 2644/4885KDM4E 2095/4885NPSR1 4/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 MAPT 1934/4885KDM4E 1613/4885NPSR1 24/4885
US-20080287510-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 MAPT 1735/4885KDM4E 1348/4885NPSR1 18/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 MAPT 2717/4885KDM4E 2535/4885NPSR1 4/4885

“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.

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