SCHEMBL8512685

SCHEMBL8512685

FC(F)(F)c1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
SCN8A Q9UQD0 1/20 0.47
TBXA2R P21731 1/20 0.44
TBXAS1 P24557 1/20 0.44
MAPK14 Q16539 1/20 0.41
MAOA P21397 1/20 0.41
CHRM2 P08172 1/20 0.41
PDPK1 O15530 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
ALDH1A1 P00352 2/20 0.40
DNM1 Q05193 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
Hydrochloric Acid SCHEMBL9943686 0.99 SIGMAR1 (0.56) SIGMAR1SCN8ATBXA2RTBXAS1MAPK14
SCHEMBL9882928 0.92 SIGMAR1 (0.46) SIGMAR1SCN8ATBXA2RTBXAS1MAPK14
Hydrochloric Acid SCHEMBL8514832 0.91 SIGMAR1 (0.45) SIGMAR1SCN8ATBXA2RTBXAS1MAPK14
SCHEMBL8512433 0.85 SIGMAR1 (0.61) SIGMAR1MAOACHRM2ALDH1A1
SCHEMBL9882970 0.84 SIGMAR1 (0.53) SIGMAR1SCN8AMAOACHRM2SLC6A5
Hydrochloric Acid SCHEMBL8515244 0.83 SIGMAR1 (0.52) SIGMAR1SCN8AMAOASLC6A5GAA
SCHEMBL9882956 0.82 SIGMAR1 (0.61) SIGMAR1TBXA2RTBXAS1MAOACHRM2
Hydrochloric Acid SCHEMBL8529048 0.81 SIGMAR1 (0.59) SIGMAR1TBXA2RTBXAS1MAOACHRM2
SCHEMBL9882944 0.80 SCN8A (0.50) SIGMAR1SCN8AMAOACHRM2SLC6A5
Hydrochloric Acid SCHEMBL8512445 0.79 SCN8A (0.49) SIGMAR1SCN8AMAOACHRM2SLC6A5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2013-11-07 US disclosed
US-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2013-11-07 US disclosed
EP-2642987-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS Faes Farma, S.A. (ES) 2013-10-02 EP disclosed
EP-2465498-A1 Diphenyl-amine derivatives: uses, process of synthesis and pharmaceutical compositions FAES FARMA, S.A. (ES) 2012-06-20 EP disclosed
WO-2012069442-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2012-05-31 WO disclosed
WO-2012069442-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2012-05-31 WO 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-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CYP2D6, DDC, PAH SIGMAR1 1329/4885SCN8A 2511/4885TBXA2R 478/4885

“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.