SCHEMBL2171000

SCHEMBL2171000

COc1cc(N)ccc1OC[C@H](O[Si](C)(C)C(C)(C)C)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
MCHR1 Q99705 5/20 0.33
CYP19A1 P11511 1/20 0.33
XDH P47989 1/20 0.32
NR4A1 P22736 1/20 0.32
HIF1A Q16665 2/20 0.32
EPAS1 Q99814 2/20 0.32
DRD4 P21917 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL2171010 1.00 GAA (0.44) GAAMAPTKDM4EALDH1A1TSHR
SCHEMBL12257772 1.00 GAA (0.44) GAAMAPTKDM4EALDH1A1TSHR
SCHEMBL2207719 0.81 CYP2D6 (0.41) MAPTALDH1A1HTT
SCHEMBL2207727 0.81 CYP2D6 (0.41) MAPTALDH1A1HTT
SCHEMBL2161376 0.76 KDM4E (0.39) GAAMAPTKDM4EALDH1A1TSHR
SCHEMBL12309985 0.75 GAA (0.42) GAAMAPTKDM4EALDH1A1TSHR
SCHEMBL12265218 0.75 GAA (0.42) GAAMAPTKDM4EALDH1A1TSHR
SCHEMBL2171307 0.75 GAA (0.53) GAAMAPTKDM4EALDH1A1TSHR
SCHEMBL1578547 0.75 GAA (0.53) GAAMAPTKDM4EALDH1A1TSHR
SCHEMBL2393458 0.73 MCHR1 (0.38) MCHR1

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-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346873-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 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 (1 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 GAA 2450/4885MAPT 2870/4885KDM4E 2972/4885

“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.