SCHEMBL1399112

SCHEMBL1399112

O=C(C=CC=Cc1ccccc1F)N1CCN(CCCCl)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.46
GPR183 P32249 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
APP P05067 2/20 0.39
GAA P10253 1/20 0.39
C3AR1 Q16581 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
SCHEMBL1399110 1.00 F2R (0.46) F2RGPR183TDP1KEAP1NFE2L2
SCHEMBL1399078 0.87 MAPT (0.56) F2RGPR183TDP1KEAP1NFE2L2
SCHEMBL1399157 0.87 TDP1 (0.53) F2RGPR183TDP1MAPTKMT2A
SCHEMBL1399075 0.87 MAPT (0.56) F2RGPR183TDP1KEAP1NFE2L2
SCHEMBL1399159 0.87 TDP1 (0.53) F2RGPR183TDP1MAPTKMT2A
SCHEMBL1399051 0.84 F2R (0.39) F2RGPR183MAPTL3MBTL1KMT2A
SCHEMBL1399049 0.84 F2R (0.39) F2RGPR183MAPTL3MBTL1KMT2A
SCHEMBL1399044 0.83 KMT2A (0.62) TDP1MAPTL3MBTL1KMT2AMEN1
SCHEMBL1399046 0.83 KMT2A (0.62) TDP1MAPTL3MBTL1KMT2AMEN1
SCHEMBL3937145 0.78 L3MBTL1 (0.41) KEAP1NFE2L2L3MBTL1KMT2AMEN1

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 1/4885GPR183 677/4885TDP1 524/4885

“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.