SCHEMBL1399145

SCHEMBL1399145

O=C(C=CC=Cc1c(F)cccc1F)N1CCN(C2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1399143 1.00 ABCB1 (0.45) ABCB1HTTTDP1POLBRAB9A
SCHEMBL1399128 0.99 ABCB1 (0.47) ABCB1HTTTDP1POLBRAB9A
SCHEMBL1399126 0.99 ABCB1 (0.47) ABCB1HTTTDP1POLBRAB9A
SCHEMBL1399116 0.87 C3AR1 (0.49) ABCB1HTTPOLBHRH3KCNH2
SCHEMBL1399117 0.87 C3AR1 (0.49) ABCB1HTTPOLBHRH3KCNH2
SCHEMBL1399104 0.86 C3AR1 (0.51) ABCB1HTTPOLBHRH3KCNH2
SCHEMBL1399106 0.86 C3AR1 (0.51) ABCB1HTTPOLBHRH3KCNH2
SCHEMBL1399054 0.78 LMNA (0.53) HTTTDP1POLBRAB9AALDH1A1
SCHEMBL1399052 0.78 LMNA (0.53) HTTTDP1POLBRAB9AALDH1A1
SCHEMBL1399169 0.77 L3MBTL1 (0.61) POLBRAB9AHRH3KCNH2KDM4E

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 ABCB1 806/4885HTT 1366/4885TDP1 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.