SCHEMBL365241

SCHEMBL365241

Cc1cc(C(=O)C[C@H](c2ccc(C(=O)N(C)C)cc2)c2ccccc2C)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.59
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
NR3C2 P08235 1/20 0.40
MGAM O43451 4/20 0.38
GAA P10253 4/20 0.38
SI P14410 4/20 0.38
MGAM2 Q2M2H8 4/20 0.38
CTSA P10619 6/20 0.37
CYP1A2 P05177 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CLK4 Q9HAZ1 2/20 0.36

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
SCHEMBL370982 1.00 GPBAR1 (0.59) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL10291761 0.90 GPBAR1 (0.57) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL364037 0.89 GPBAR1 (0.72) GPBAR1NR3C2MGAMGAASI
SCHEMBL363087 0.89 GPBAR1 (0.72) GPBAR1NR3C2MGAMGAASI
SCHEMBL1390446 0.89 GPBAR1 (0.62) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1390447 0.89 GPBAR1 (0.62) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1390158 0.88 GPBAR1 (0.77) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1390156 0.88 GPBAR1 (0.77) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1390154 0.88 GPBAR1 (0.77) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL362390 0.88 GPBAR1 (0.77) GPBAR1PSEN1PSEN2APH1BNCSTN

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 1/4885PSEN1 663/4885PSEN2 1754/4885

“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.