SCHEMBL1399036

SCHEMBL1399036

N#Cc1ccccc1C=CC=CC(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.44
HRH3 Q9Y5N1 8/20 0.43
MGLL Q99685 2/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR183 P32249 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1399035 1.00 F2R (0.44) F2RHRH3MGLLKCNH2KDM4E
SCHEMBL1399064 0.99 KDM4E (0.44) F2RHRH3MGLLKCNH2KDM4E
SCHEMBL1399061 0.99 KDM4E (0.44) F2RHRH3MGLLKCNH2KDM4E
SCHEMBL1399117 0.83 C3AR1 (0.49) HRH3KCNH2KDM4EALDH1A1POLB
SCHEMBL1399169 0.83 L3MBTL1 (0.61) F2RHRH3KCNH2KDM4EALDH1A1
SCHEMBL1399170 0.83 L3MBTL1 (0.61) F2RHRH3KCNH2KDM4EALDH1A1
SCHEMBL1399116 0.83 C3AR1 (0.49) HRH3KCNH2KDM4EALDH1A1POLB
SCHEMBL1399057 0.82 L3MBTL1 (0.60) F2RHRH3KCNH2KDM4EALDH1A1
SCHEMBL1399085 0.82 L3MBTL1 (0.60) F2RHRH3KCNH2KDM4EALDH1A1
SCHEMBL1399104 0.82 C3AR1 (0.51) HRH3KCNH2KDM4EALDH1A1POLB

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 F2R 1/4885HRH3 225/4885MGLL 2075/4885

“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.