SCHEMBL3384383

SCHEMBL3384383

COc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)C(C)(C)OC2(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 4/20 0.54
▸ KDM4E B2RXH2 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ MAPT P10636 4/20 0.53
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ KLF5 Q13887 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.47
▸ DCLK1 O15075 1/20 0.47
▸ FES P07332 1/20 0.47
▸ PIM1 P11309 1/20 0.47

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
SCHEMBL3387385 0.82 MAPT (0.54) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL945302 0.80 MAPT (0.52) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL345091 0.75 KCNMA1 (0.67) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4898350 0.75 MAPT (0.53) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4916732 0.74 NPC1 (0.74) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL945105 0.74 RAB9A (0.71) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL944850 0.73 KCNMA1 (0.57) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2814341 0.72 ALDH1A1 (0.64) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3384688 0.72 MAPT (0.70) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3387532 0.72 KCNMA1 (0.56) KCNMA1KDM4EALDH1A1HPGDHSD17B10

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
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
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-20080287510-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-11-20 — — 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 (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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KCNMA1 1529/4885KDM4E 2095/4885ALDH1A1 898/4885
US-20080287510-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 KCNMA1 1416/4885KDM4E 1348/4885ALDH1A1 1377/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KCNMA1 1557/4885KDM4E 2535/4885ALDH1A1 914/4885

“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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