SCHEMBL14920786

SCHEMBL14920786

Fc1cccc(Oc2cccc(F)c2Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.46
HTR1A P08908 11/20 0.46
SLC6A3 Q01959 9/20 0.46
SLC6A4 P31645 8/20 0.46
RHEB Q15382 2/20 0.39
CXCL8 P10145 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL22651010 0.85 DPP4 (0.49) SLC6A2HTR1ASLC6A3SLC6A4ALDH1A1
SCHEMBL5405309 0.81 NFE2L2 (0.47) ALDH1A1
SCHEMBL5405305 0.81 SLC6A2 (0.36) SLC6A2HTR1ASLC6A3SLC6A4RHEB
SCHEMBL11541852 0.80 PARP10 (0.36) SLC6A2HTR1ASLC6A3SLC6A4ALDH1A1
SCHEMBL14237478 0.79 SLC6A2 (0.33) SLC6A2HTR1ASLC6A3SLC6A4TAAR1
SCHEMBL1042133 0.78
SCHEMBL19176364 0.76 CA1 (0.49) SLC6A2HTR1ASLC6A3SLC6A4ALDH1A1
SCHEMBL30604502 0.76 SLC6A2 (0.33) SLC6A2HTR1ASLC6A3SLC6A4RHEB
SCHEMBL2885551 0.76 L3MBTL1 (0.55) ALDH1A1
Phosphine SCHEMBL28191581 0.75 TAAR1 (0.41) SLC6A2HTR1ASLC6A3SLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2014-09-25 US disclosed
EP-2773613-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION Astex Therapeutics Limited (GB) 2014-09-10 EP disclosed
WO-2013064538-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2013-05-10 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-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION NR1H4, CFH, SLC10A1 SLC6A2 143/4885HTR1A 891/4885SLC6A3 335/4885

“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.