SCHEMBL1965950

SCHEMBL1965950

CCOC(=O)c1nc(C)oc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
FPR2 P25090 1/20 0.47
KDM4E B2RXH2 4/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
PIN1 Q13526 1/20 0.45
XPO1 O14980 1/20 0.44
CASP6 P55212 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
TARBP2 Q15633 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL29158621 0.87 KMT2A (0.54) MEN1MAPTKMT2AKDM4ERXRA
SCHEMBL4742519 0.85 MAPT (0.52) MEN1MAPTKMT2AKDM4ETARBP2
SCHEMBL29158618 0.85 KMT2A (0.55) MEN1MAPTKMT2AKDM4ERXRA
SCHEMBL1340374 0.84 TRPM8 (0.53) MEN1MAPTKMT2AFPR2KDM4E
SCHEMBL4738316 0.84 TARBP2 (0.48) MAPTKMT2AFPR2KDM4ERXRA
SCHEMBL1167244 0.84 PIN1 (0.58) MEN1KMT2AFPR2KDM4ERXRA
SCHEMBL4786522 0.82 ALOX5 (0.55) MAPTKMT2AFPR2KDM4EALDH1A1
SCHEMBL1968359 0.81 TARBP2 (0.59) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL1969979 0.81 TARBP2 (0.50) KMT2AFPR2KDM4ERXRARXRB
SCHEMBL27918911 0.81 PIN1 (0.43) MEN1MAPTKMT2AFPR2RXRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 MEN1 525/4885MAPT 1419/4885KMT2A 253/4885

“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.