SCHEMBL365449

SCHEMBL365449

CC(=O)N1CCC(c2ccc([C@@H](CC(=O)c3ccnc(C)c3)c3ccc(Cl)cc3C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 8/20 0.46
WNT3A P56704 1/20 0.44
MCHR1 Q99705 3/20 0.43
PRCP P42785 1/20 0.43
GPBAR1 Q8TDU6 4/20 0.42
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
FASN P49327 1/20 0.38

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
SCHEMBL1390428 1.00 PROKR1 (0.46) PROKR1WNT3AMCHR1PRCPGPBAR1
SCHEMBL370379 0.90 GPBAR1 (0.54) PROKR1WNT3AMCHR1PRCPGPBAR1
SCHEMBL1390138 0.90 GPBAR1 (0.54) PROKR1WNT3AMCHR1PRCPGPBAR1
SCHEMBL370381 0.90 GPBAR1 (0.54) PROKR1WNT3AMCHR1PRCPGPBAR1
SCHEMBL1390137 0.90 GPBAR1 (0.54) PROKR1WNT3AMCHR1PRCPGPBAR1
SCHEMBL368968 0.89 WNT3A (0.45) PROKR1WNT3APRCPGPBAR1
SCHEMBL363869 0.89 WNT3A (0.45) PROKR1WNT3APRCPGPBAR1
SCHEMBL1390455 0.88 GPBAR1 (0.44) PROKR1MCHR1PRCPGPBAR1TLR8
SCHEMBL1390437 0.88 GPBAR1 (0.44) PROKR1MCHR1PRCPGPBAR1TLR9
SCHEMBL364194 0.88 GPBAR1 (0.44) PROKR1MCHR1PRCPGPBAR1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 PROKR1 242/4885WNT3A 4280/4885MCHR1 426/4885

“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.