SCHEMBL12344812

SCHEMBL12344812

COc1cc(N)ccc1OCC1(O)CCS(=O)(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.52
▸ GAA P10253 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAD52 P43351 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ PRSS1 P07477 4/20 0.35
▸ NR4A1 P22736 1/20 0.35

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
SCHEMBL2170396 0.81 MCHR1 (0.47) MCHR1MAPTALDH1A1MAPK1HTT
SCHEMBL1578772 0.77 GAA (0.51) MCHR1GAAMAPTKDM4EALDH1A1
SCHEMBL16533161 0.71 KDM4E (0.42) MCHR1GAAMAPTKDM4EALDH1A1
SCHEMBL18518616 0.70 FFAR1 (0.44) MCHR1
SCHEMBL17399998 0.70 MCHR1 (0.34) MCHR1
SCHEMBL1159205 0.67 GAA (0.96) GAAMAPTKDM4EALDH1A1MAPK1
SCHEMBL15652814 0.67 MAPT (0.60) GAAMAPTKDM4EALDH1A1MAPK1
SCHEMBL1531321 0.67 POLB (0.62) GAAMAPTKDM4EALDH1A1MAPK1
SCHEMBL4829743 0.67 HTT (0.48) MAPTALDH1A1HTTLMNACYP19A1
SCHEMBL11708171 0.67 GAA (0.64) GAAMAPTKDM4EALDH1A1MAPK1

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 6 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
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
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 MCHR1 1/4885GAA 1753/4885MAPT 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.

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