SCHEMBL1786393

SCHEMBL1786393

CC(C)(C)OC(=O)N1CCC(Sc2ccc3nc(N)sc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.54
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
GPR119 Q8TDV5 5/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GCK P35557 1/20 0.41
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL1785921 0.95 PIK3CA (0.51) PIK3CACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1789635 0.95 PIK3CA (0.51) PIK3CACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1786792 0.95 PIK3CA (0.51) PIK3CACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1785477 0.85 CYP1A2 (0.48) PIK3CACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1787307 0.82 CYP1A2 (0.47) PIK3CACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1786538 0.82 CYP1A2 (0.47) PIK3CACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1788290 0.82 CYP1A2 (0.47) PIK3CACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1786188 0.80 PIK3CA (0.52) PIK3CACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13893754 0.78 GPR119 (0.42) GPR119
SCHEMBL1886051 0.78 GPR119 (0.54) GPR119L3MBTL1

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 PIK3CA 4190/4885CYP1A2 3643/4885CYP3A4 3775/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R PIK3CA 3376/4885CYP1A2 3181/4885CYP3A4 3683/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R PIK3CA 3249/4885CYP1A2 2248/4885CYP3A4 4435/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R PIK3CA 4190/4885CYP1A2 3643/4885CYP3A4 3775/4885

“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.