SCHEMBL1399050

SCHEMBL1399050

O=C(C=CC=Cc1c(F)cccc1F)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.60
F2R P25116 1/20 0.60
TDP1 Q9NUW8 1/20 0.53
ACHE P22303 1/20 0.51
CCR1 P32246 1/20 0.49

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
SCHEMBL1399048 1.00 GPR183 (0.60) GPR183F2RTDP1ACHECCR1
SCHEMBL10300778 0.92 GPR183 (0.67) GPR183F2RTDP1ACHECCR1
SCHEMBL2902830 0.92 GPR183 (0.67) GPR183F2RTDP1ACHECCR1
SCHEMBL2908746 0.83 MEN1 (0.65) GPR183F2RTDP1CCR1
SCHEMBL10300779 0.83 MEN1 (0.64) GPR183F2RTDP1ACHE
SCHEMBL2905865 0.82 GPR183 (0.63) GPR183F2RTDP1ACHE
SCHEMBL1399159 0.81 TDP1 (0.53) GPR183F2RTDP1
SCHEMBL1399157 0.81 TDP1 (0.53) GPR183F2RTDP1
SCHEMBL2909986 0.81 F2R (0.80) GPR183F2RACHECCR1
SCHEMBL2906207 0.80 TDP1 (0.57) GPR183F2RTDP1ACHECCR1

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 GPR183 677/4885F2R 1/4885TDP1 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.