SCHEMBL368625

SCHEMBL368625

Cc1cc(C(=O)CC(c2ccc(C3CCN(C(=O)O)CC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.53
PROKR1 Q8TCW9 2/20 0.43
PRCP P42785 1/20 0.42
WNT3A P56704 1/20 0.39
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TLR9 Q9NR96 9/20 0.38
TLR8 Q9NR97 9/20 0.38
TLR7 Q9NYK1 9/20 0.38
FASN P49327 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 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
SCHEMBL370093 0.91 GPBAR1 (0.52) GPBAR1PROKR1PRCPKMT2AMEN1
SCHEMBL368574 0.89 GPBAR1 (0.51) GPBAR1PROKR1PRCPWNT3AKMT2A
SCHEMBL368575 0.89 GPBAR1 (0.51) GPBAR1PROKR1PRCPWNT3AKMT2A
SCHEMBL363414 0.89 GPBAR1 (0.55) GPBAR1PROKR1PRCPKMT2ATLR9
SCHEMBL1390981 0.89 GPBAR1 (0.55) GPBAR1PROKR1PRCPKMT2ATLR9
SCHEMBL15949125 0.87 GPBAR1 (0.54) GPBAR1PROKR1PRCPTLR9TLR8
SCHEMBL363019 0.87 GPBAR1 (0.60) GPBAR1PROKR1PRCPNPC1RAB9A
SCHEMBL369634 0.87 GPBAR1 (0.60) GPBAR1PROKR1PRCPNPC1RAB9A
SCHEMBL15949122 0.87 GPBAR1 (0.54) GPBAR1PROKR1PRCPTLR9TLR8
SCHEMBL1390472 0.86 GPBAR1 (0.51) GPBAR1PROKR1PRCPWNT3AKMT2A

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 GPBAR1 1/4885PROKR1 242/4885PRCP 3366/4885

“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.