SCHEMBL1399136

SCHEMBL1399136

Cc1ccccc1CN1CCCN(C(=O)/C=C/C=C/c2ccccc2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
GRIN2B Q13224 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
FABP6 P51161 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GPR183 P32249 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1399138 1.00 APP (0.44) APPALDH1A1KMT2AKDM4EMEN1
SCHEMBL1399086 0.91 GRIN2B (0.55) APPALDH1A1GRIN2BMAPTGAA
SCHEMBL1399134 0.91 GRIN2B (0.55) APPALDH1A1GRIN2BMAPTGAA
SCHEMBL1399059 0.85 MAPT (0.58) APPALDH1A1KMT2AKDM4EMEN1
SCHEMBL1399058 0.85 MAPT (0.58) APPALDH1A1KMT2AKDM4EMEN1
SCHEMBL1399051 0.76 F2R (0.39) APPKMT2AMEN1MAPTL3MBTL1
SCHEMBL1399049 0.76 F2R (0.39) APPKMT2AMEN1MAPTL3MBTL1
SCHEMBL1399113 0.74 F2R (0.59) APPALDH1A1KMT2AKDM4EMEN1
SCHEMBL1399111 0.74 F2R (0.59) APPALDH1A1KMT2AKDM4EMEN1
SCHEMBL1399035 0.74 F2R (0.44) ALDH1A1KDM4EMAPTL3MBTL1SMN1; SMN2

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-8022064-B2 Phenylpentadienoyl derivatives and their use as PAR 1 antagonists PIERRE FABRE MEDICAMENT (FR) 2011-09-20 US claimed
EP-2046748-B1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PF MEDICAMENT (FR) 2011-03-02 EP claimed
US-20100003260-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2010-01-07 US claimed
EP-2046748-B1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PF MEDICAMENT (FR) 2011-03-02 EP 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-20100003260-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS F2R, F2RL1, FPR1 APP 1442/4885ALDH1A1 1195/4885KMT2A 4020/4885

“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.