SCHEMBL368574

SCHEMBL368574

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.51
WNT3A P56704 1/20 0.46
NAMPT P43490 1/20 0.43
HPGDS O60760 1/20 0.40
GPR119 Q8TDV5 4/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
PIK3CD O00329 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRCP P42785 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IGF1R P08069 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
SCHEMBL368575 1.00 GPBAR1 (0.51) GPBAR1WNT3ANAMPTHPGDSGPR119
SCHEMBL1390627 0.92 GPBAR1 (0.48) GPBAR1WNT3ANAMPTHPGDSPROKR1
SCHEMBL1390628 0.92 GPBAR1 (0.48) GPBAR1WNT3ANAMPTHPGDSPROKR1
SCHEMBL368968 0.90 WNT3A (0.45) GPBAR1WNT3AGPR119PROKR1MEN1
SCHEMBL363869 0.90 WNT3A (0.45) GPBAR1WNT3AGPR119PROKR1MEN1
SCHEMBL368625 0.89 GPBAR1 (0.53) GPBAR1WNT3APROKR1MEN1KMT2A
SCHEMBL14936621 0.89 NAMPT (0.44) GPBAR1WNT3ANAMPTHPGDSGPR119
SCHEMBL1390947 0.84 GPR119 (0.46) WNT3ANAMPTHPGDSGPR119KDM4E
SCHEMBL363900 0.84 GPR119 (0.46) WNT3ANAMPTHPGDSGPR119KDM4E
SCHEMBL1390981 0.83 GPBAR1 (0.55) GPBAR1PROKR1MEN1KMT2APRCP

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 1/4885WNT3A 4280/4885NAMPT 4092/4885

“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.