SCHEMBL1783677

SCHEMBL1783677

CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)Oc4ccc(F)cc4)sc3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 18/20 0.60
HCAR1 Q9BXC0 1/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL1784319 0.82 GHSR (0.58) GHSRHCAR1ALDH1A1GAA
SCHEMBL1786861 0.80 ALDH1A1 (0.80) ALDH1A1GAA
SCHEMBL1786650 0.76 GHSR (1.00) GHSRHCAR1
SCHEMBL1786022 0.76 GHSR (0.84) GHSR
SCHEMBL6068180 0.75 ABL1 (0.57) GHSRALDH1A1
SCHEMBL1784920 0.75 GHSR (1.00) GHSR
SCHEMBL1784611 0.74 GHSR (0.55) GHSRALDH1A1
SCHEMBL1786662 0.73 GHSR (0.95) GHSR
SCHEMBL1785045 0.73 GHSR (1.00) GHSR
SCHEMBL1788840 0.73 GHSR (1.00) GHSR

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 2/4885HCAR1 212/4885ALDH1A1 2084/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R GHSR 30/4885HCAR1 1153/4885ALDH1A1 650/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R GHSR 59/4885HCAR1 961/4885ALDH1A1 918/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R GHSR 2/4885HCAR1 212/4885ALDH1A1 2084/4885

“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.