SCHEMBL1787157

SCHEMBL1787157

CS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(OC[C@H]4CCCNC4)ccc3Cl)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.58
ALDH1A1 P00352 1/20 0.50
CHRNA4 P43681 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HCAR1 Q9BXC0 2/20 0.48
KMT2A Q03164 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL1787161 1.00 GHSR (0.58) GHSRALDH1A1CHRNA4SLC6A3HCAR1
SCHEMBL1788196 0.85 GHSR (0.56) GHSRALDH1A1CHRNA4SLC6A3HCAR1
SCHEMBL1788193 0.85 GHSR (0.56) GHSRALDH1A1CHRNA4SLC6A3HCAR1
SCHEMBL1785514 0.85 GHSR (0.62) GHSRALDH1A1CHRNA4SLC6A3HCAR1
SCHEMBL1785993 0.83 GHSR (0.72) GHSRALDH1A1HCAR1KMT2ARXFP1
SCHEMBL1785425 0.83 GHSR (0.64) GHSRALDH1A1CHRNA4SLC6A3HCAR1
SCHEMBL1788643 0.83 GHSR (0.66) GHSRALDH1A1CHRNA4SLC6A3HCAR1
SCHEMBL1787116 0.83 GHSR (0.54) GHSRALDH1A1CHRNA4SLC6A3HCAR1
SCHEMBL1787115 0.83 GHSR (0.54) GHSRALDH1A1CHRNA4SLC6A3HCAR1
SCHEMBL1785399 0.82 GHSR (0.67) GHSRALDH1A1CHRNA4SLC6A3HCAR1

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 GHSR 2/4885ALDH1A1 2084/4885CHRNA4 1758/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R GHSR 30/4885ALDH1A1 650/4885CHRNA4 4084/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R GHSR 59/4885ALDH1A1 918/4885CHRNA4 4069/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R GHSR 2/4885ALDH1A1 2084/4885CHRNA4 1758/4885

“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.