SCHEMBL15514844

SCHEMBL15514844

COc1cc(N)ccc1OC1CCN(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.47
PIK3CD O00329 4/20 0.44
PIK3CA P42336 4/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CG P48736 3/20 0.44
PDE4A P27815 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4224358 0.92 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4200656 0.90 ALDH1A1 (0.48) PDE4BPDE4APDE4CPDE4DEGFR
SCHEMBL4855227 0.85 KDM4E (0.45) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15509004 0.85 PDE4B (0.59) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4202107 0.85 PDE4B (0.59) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4202110 0.85 PDE4B (0.59) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16973257 0.84 FFAR4 (0.38) PDE4B
SCHEMBL16973092 0.84 FFAR4 (0.38) PDE4B
SCHEMBL3316833 0.81 PIK3CD (0.46) PIK3CDPIK3CAALDH1A1
SCHEMBL3317788 0.81 PIK3CD (0.46) PIK3CDPIK3CAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499482-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-20150218092-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2015-08-06 US disclosed
EP-2892897-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
WO-2014039412-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-13 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-20150218092-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R PDE4B 1272/4885PIK3CD 4143/4885PIK3CA 3978/4885

“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.