SCHEMBL362897

SCHEMBL362897

Cc1cc(C(=O)CC(c2ccc(C3=CCN(C(=O)O)CC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.53
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
WNT3A P56704 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 3/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NAMPT P43490 4/20 0.35
NPC1 O15118 1/20 0.35
CCR1 P32246 1/20 0.35

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
SCHEMBL1390709 0.90 GPBAR1 (0.68) GPBAR1CNR1ALDH1A1SMN1; SMN2WNT3A
SCHEMBL365068 0.90 GPBAR1 (0.68) GPBAR1CNR1ALDH1A1SMN1; SMN2WNT3A
SCHEMBL368904 0.89 GPBAR1 (0.48) GPBAR1CNR1WNT3ANAMPT
SCHEMBL369505 0.89 GPBAR1 (0.48) GPBAR1CNR1WNT3ANAMPT
SCHEMBL370556 0.87 GPBAR1 (0.51) GPBAR1WNT3A
SCHEMBL370555 0.87 GPBAR1 (0.51) GPBAR1WNT3A
SCHEMBL15949086 0.82 GPBAR1 (0.54) GPBAR1WNT3A
SCHEMBL15949087 0.82 GPBAR1 (0.54) GPBAR1WNT3A
SCHEMBL10291774 0.81 GPBAR1 (0.47) GPBAR1CNR1WNT3ANAMPT
SCHEMBL1390446 0.81 GPBAR1 (0.62) GPBAR1MEN1KMT2AHPGDLMNA

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 1/4885CNR1 56/4885ALDH1A1 132/4885

“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.