SCHEMBL1786538

SCHEMBL1786538

Nc1nc2ccc(S[C@H]3CCN(C(=O)O)C3)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.44
LMNA P02545 3/20 0.42
DRD2 P14416 1/20 0.42
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CA P42336 2/20 0.40
PI4KA P42356 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 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
SCHEMBL1787307 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL1788290 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL1785477 0.94 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL1785921 0.85 PIK3CA (0.51) CYP1A2CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL1786792 0.85 PIK3CA (0.51) CYP1A2CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL1789635 0.85 PIK3CA (0.51) CYP1A2CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL1786393 0.82 PIK3CA (0.54) CYP1A2CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL1789550 0.76 LMNA (0.51) CYP1A2CYP3A4CYP2D6CYP2C9LMNA
SCHEMBL1786763 0.76 LMNA (0.51) CYP1A2CYP3A4CYP2D6CYP2C9LMNA
SCHEMBL1787659 0.76 LMNA (0.51) CYP1A2CYP3A4CYP2D6CYP2C9LMNA

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 CYP1A2 3643/4885CYP3A4 3775/4885CYP2D6 3212/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R CYP1A2 3181/4885CYP3A4 3683/4885CYP2D6 3086/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R CYP1A2 2248/4885CYP3A4 4435/4885CYP2D6 4489/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R CYP1A2 3643/4885CYP3A4 3775/4885CYP2D6 3212/4885

“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.