SCHEMBL370381

SCHEMBL370381

CC(=O)N1CCC(c2ccc([C@@H](CC(=NO)c3ccnc(C)c3)c3ccc(Cl)cc3C)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.54
PROKR1 Q8TCW9 8/20 0.43
WNT3A P56704 1/20 0.41
PRCP P42785 1/20 0.41
TLR8 Q9NR97 3/20 0.39
TLR7 Q9NYK1 3/20 0.39
TLR9 Q9NR96 2/20 0.39
MCHR1 Q99705 1/20 0.38
FASN P49327 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36

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
SCHEMBL1390138 1.00 GPBAR1 (0.54) GPBAR1PROKR1WNT3APRCPTLR8
SCHEMBL370379 1.00 GPBAR1 (0.54) GPBAR1PROKR1WNT3APRCPTLR8
SCHEMBL1390137 1.00 GPBAR1 (0.54) GPBAR1PROKR1WNT3APRCPTLR8
SCHEMBL370051 0.94 GPBAR1 (0.54) GPBAR1PROKR1WNT3APRCPFASN
SCHEMBL370050 0.94 GPBAR1 (0.54) GPBAR1PROKR1WNT3APRCPFASN
SCHEMBL1390428 0.90 PROKR1 (0.46) GPBAR1PROKR1WNT3APRCPTLR8
SCHEMBL365449 0.90 PROKR1 (0.46) GPBAR1PROKR1WNT3APRCPTLR8
SCHEMBL369777 0.90 GPBAR1 (0.52) GPBAR1PROKR1WNT3APRCP
SCHEMBL369778 0.90 GPBAR1 (0.52) GPBAR1PROKR1WNT3APRCP
SCHEMBL363221 0.90 GPBAR1 (0.52) GPBAR1PROKR1WNT3APRCP

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
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 GPBAR1 1/4885PROKR1 242/4885WNT3A 4280/4885

“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.