SCHEMBL2170546

SCHEMBL2170546

COc1cc(N)ccc1N1C[C@@H](O)[C@@H](O)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.53
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MCHR1 Q99705 1/20 0.40
HSD11B1 P28845 1/20 0.38
CYP19A1 P11511 2/20 0.38
NQO2 P16083 1/20 0.38
ACACB O00763 3/20 0.38
ALDH1A3 P47895 1/20 0.38
SNCA P37840 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL2170553 1.00 NR4A1 (0.53) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL6708790 0.91 NR4A1 (0.48) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL13723512 0.90 NR4A1 (0.53) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL6712275 0.87 NR4A1 (0.44) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL6707008 0.85 NR4A1 (0.54) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL6710412 0.82 NR4A1 (0.40) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL1930423 0.82 NR4A1 (0.48) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL15650970 0.82 NR4A1 (0.48) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL1930421 0.82 NR4A1 (0.48) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL15244489 0.81 NR4A1 (0.50) NR4A1ALDH1A1MAPTKDM4ELMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346860-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 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-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R NR4A1 566/4885ALDH1A1 837/4885MAPT 2418/4885

“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.