SCHEMBL1790337

SCHEMBL1790337

COC(=O)c1cc(N2CCOCC2)c(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 7/20 0.48
MAPK1 P28482 4/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 3/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL1785833 0.88 MAPT (0.50) ALDH1A1GAAALOX15HSD17B10LMNA
SCHEMBL12316372 0.85 GAA (0.52) ALDH1A1GAAALOX15HSD17B10HTT
SCHEMBL1785947 0.81 MAPT (0.51) ALDH1A1GAAHTTLMNAMAPT
SCHEMBL29681142 0.81 ALDH1A1 (0.45) ALDH1A1GAAALOX15HSD17B10HTT
SCHEMBL24532676 0.81 ALDH1A1 (0.45) ALDH1A1GAAALOX15HSD17B10HTT
SCHEMBL2086265 0.79 PRKDC (0.55) ALDH1A1HTTLMNAMAPTRAB9A
SCHEMBL17478733 0.77 MAPT (0.49) ALDH1A1GAAALOX15HSD17B10MAPT
SCHEMBL29845733 0.77 MAPT (0.47) ALDH1A1GAAALOX15HSD17B10MAPT
SCHEMBL24515328 0.77 MAPT (0.47) ALDH1A1GAAALOX15HSD17B10MAPT
SCHEMBL10299399 0.76 GAA (0.49) ALDH1A1GAAALOX15HSD17B10MAPT

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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO 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 (4 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R ALDH1A1 2084/4885GAA 1879/4885ALOX15 3309/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R ALDH1A1 650/4885GAA 402/4885ALOX15 3620/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R ALDH1A1 918/4885GAA 549/4885ALOX15 3347/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R ALDH1A1 2084/4885GAA 1879/4885ALOX15 3309/4885

“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.