SCHEMBL368175

SCHEMBL368175

CC(=O)N1CCC(c2ccc(C(CC(=O)c3ccc(=O)n(C)c3)c3ccccc3C)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.40
MCHR1 Q99705 5/20 0.37
GPBAR1 Q8TDU6 3/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CCR1 P32246 4/20 0.36
QDPR P09417 1/20 0.36
BRD4 O60885 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
SCHEMBL368174 1.00 APAF1 (0.40) APAF1MCHR1GPBAR1MEN1CYP1A2
SCHEMBL371362 0.94 APAF1 (0.41) APAF1GPBAR1MEN1CYP1A2CYP3A4
SCHEMBL368941 0.90 GPBAR1 (0.45) APAF1MCHR1GPBAR1MEN1CYP1A2
SCHEMBL368942 0.90 GPBAR1 (0.45) APAF1MCHR1GPBAR1MEN1CYP1A2
SCHEMBL368943 0.90 GPBAR1 (0.45) APAF1MCHR1GPBAR1MEN1CYP1A2
SCHEMBL368944 0.90 GPBAR1 (0.45) APAF1MCHR1GPBAR1MEN1CYP1A2
SCHEMBL368536 0.88 NAMPT (0.43) APAF1MEN1KMT2A
SCHEMBL368537 0.88 NAMPT (0.43) APAF1MEN1KMT2A
SCHEMBL370024 0.88 GPBAR1 (0.40) APAF1GPBAR1ADRA1DADRA1AADRA1B
SCHEMBL370023 0.88 GPBAR1 (0.40) APAF1GPBAR1ADRA1DADRA1AADRA1B

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 APAF1 2922/4885MCHR1 426/4885GPBAR1 1/4885

“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.