SCHEMBL1390352

SCHEMBL1390352

COC(=O)C1CCC(NC(=O)c2ccc(C(CC(=O)c3ccc(=O)n(C)c3)c3ccccc3Cl)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
HPGD P15428 1/20 0.36
DRD4 P21917 8/20 0.35
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35
MAPK8 P45983 1/20 0.35
RIPK2 O43353 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL1390351 1.00 ACHE (0.36) ACHEHPGDDRD4DRD3DRD2
SCHEMBL1390392 0.95 HPGD (0.39) ACHEHPGDF10BRD4MAPK14
SCHEMBL1390183 0.93 HPGD (0.37) ACHEHPGDF10BRD4MAPK14
SCHEMBL1390181 0.93 HPGD (0.37) ACHEHPGDF10BRD4MAPK14
SCHEMBL1390393 0.92 BRD4 (0.41) ACHEHPGDF10BRD4MAPK14
SCHEMBL1390395 0.92 BRD4 (0.41) ACHEHPGDF10BRD4MAPK14
SCHEMBL370112 0.90 BRD4 (0.40) BRD4
SCHEMBL368971 0.88 F9 (0.36) MAPK8HTR3AF10BRD4
SCHEMBL1389650 0.86 HPGD (0.37) HPGDRIPK2F10BRD4MAPK14
SCHEMBL1389652 0.86 HPGD (0.37) HPGDRIPK2F10BRD4MAPK14

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 3 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
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 ACHE 4816/4885HPGD 602/4885DRD4 1207/4885

“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.