SCHEMBL2171198

SCHEMBL2171198

COc1cc(N)ccc1OCC(C)(C)OCOCC[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
ALDH1A1 P00352 5/20 0.33
CYP19A1 P11511 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
NR4A1 P22736 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
USP2 O75604 2/20 0.31
PRSS1 P07477 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
CASP1 P29466 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
SCHEMBL2170859 0.85 KDM4E (0.54) GAAMAPTKDM4EHTTTSHR
SCHEMBL2171799 0.81 LMNA (0.43) MAPTHTTMAPK1ALDH1A1CYP19A1
SCHEMBL4849344 0.79 KDM4E (0.46) GAAMAPTKDM4EHTTTSHR
SCHEMBL15515494 0.76 MCHR1 (0.47)
SCHEMBL2170961 0.76 ALDH1A1 (0.45) GAAMAPTKDM4EHTTTSHR
SCHEMBL12264979 0.76 ALDH1A1 (0.45) GAAMAPTKDM4EHTTTSHR
SCHEMBL5453516 0.75 GAA (0.58) GAAMAPTKDM4EHTTTSHR
SCHEMBL15650837 0.73 KDM4E (0.64) GAAMAPTKDM4EHTTTSHR
SCHEMBL16977722 0.72 MCHR1 (0.56)
SCHEMBL13723909 0.71 GAA (0.57) GAAMAPTKDM4EHTTTSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586900-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-07 US disclosed
US-9586900-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-07 US disclosed
US-9586900-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-07 US disclosed
EP-2892896-B1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMORE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-06-29 EP disclosed
EP-2892896-B1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMORE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-06-29 EP disclosed
US-20150218093-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 US disclosed
US-20150218093-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 US disclosed
US-20150218093-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 US disclosed
EP-2892896-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMORE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
WO-2014039411-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMORE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-13 WO disclosed
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
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
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
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 (2 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
US-20150218093-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R GAA 2471/4885MAPT 3405/4885KDM4E 1241/4885

“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.