SCHEMBL3400918

SCHEMBL3400918

CC[C@]1(c2ccccc2)NC(=O)NC1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.62
CYP2C19 P33261 3/20 0.56
TSHR P16473 1/20 0.56
CACNA1F O60840 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
HTR2A P28223 1/20 0.53
HRH1 P35367 1/20 0.53
SCN1A P35498 1/20 0.53
SCN4A P35499 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
CACNA1D Q01668 1/20 0.53
KCNH2 Q12809 1/20 0.53
CACNA1S Q13698 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53

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
SCHEMBL2191989 1.00 ADAM17 (0.62) ADAM17CYP2C19TSHRCACNA1FALDH1A1
SCHEMBL4123231 1.00 ADAM17 (0.62) ADAM17CYP2C19TSHRCACNA1FALDH1A1
SCHEMBL3655113 0.86 ADAM17 (0.59) ADAM17CACNA1FALDH1A1MAPTCYP2C9
SCHEMBL20135652 0.84 ADAM17 (0.60) ADAM17MMP2
SCHEMBL3410690 0.84 ADAM17 (0.60) ADAM17MMP2
SCHEMBL20135513 0.84 ADAM17 (0.60) ADAM17MMP2
SCHEMBL11092735 0.82 MMP2 (0.51) ADAM17TSHRALDH1A1MMP2MMP9
SCHEMBL3412312 0.82 ADAM17 (0.44) ADAM17TSHRMMP2MMP9
SCHEMBL20134809 0.82 ADAM17 (0.44) ADAM17CYP2C19TSHRALDH1A1MMP2
SCHEMBL20135025 0.82 ADAM17 (0.44) ADAM17CYP2C19TSHRALDH1A1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252575-B1 2-AMINO-2-PHENYLALKANOL DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OROXCELL (FR) 2012-12-19 EP disclosed
US-8217075-B2 2-amino-2-phenyl-alkanol derivatives, their preparation and pharmaceutical compositions containing them OROXCELL (FR) 2012-07-10 US disclosed
US-8217075-B2 2-amino-2-phenyl-alkanol derivatives, their preparation and pharmaceutical compositions containing them OROXCELL (FR) 2012-07-10 US disclosed
US-8217075-B2 2-amino-2-phenyl-alkanol derivatives, their preparation and pharmaceutical compositions containing them OROXCELL (FR) 2012-07-10 US disclosed
EP-2252575-A1 2-AMINO-2-PHENYLALKANOL DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Oroxcell (FR) 2010-11-24 EP disclosed
WO-2009112703-A1 2-AMINO-2-PHENYLALKANOL DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OROXCELL (FR) 2009-09-17 WO disclosed
US-20090197924-A1 2-AMINO-2-PHENYL-ALKANOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM OROXCELL (FR) 2009-08-06 US disclosed
US-20090197924-A1 2-AMINO-2-PHENYL-ALKANOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM OROXCELL (FR) 2009-08-06 US disclosed
US-20090197924-A1 2-AMINO-2-PHENYL-ALKANOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM OROXCELL (FR) 2009-08-06 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-20090197924-A1 2-AMINO-2-PHENYL-ALKANOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM OPRK1, ALK, AGTR2 ADAM17 4779/4885CYP2C19 256/4885TSHR 1147/4885

“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.