SCHEMBL5503983

SCHEMBL5503983

NCCc1ccc(Cl)cc1Oc1ccc(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.50
KCNH2 Q12809 7/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 1/20 0.50
HTR2A P28223 7/20 0.43
SOS1 Q07889 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
ADRA1A P35348 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SCN9A Q15858 1/20 0.39
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL5501094 0.90 SLC6A4 (0.48) SLC6A4KCNH2SLC6A2SLC6A3HTR2A
SCHEMBL5497428 0.90 SLC6A4 (0.45) SLC6A4KCNH2SLC6A2SLC6A3HTR2A
SCHEMBL5498728 0.87 ADRA1A (0.56) SLC6A4KCNH2SLC6A2SLC6A3HTR2A
SCHEMBL5502812 0.86 SOS1 (0.47) SLC6A4KCNH2SLC6A2SLC6A3HTR2A
SCHEMBL5497245 0.85 SLC6A4 (0.49) SLC6A4KCNH2SLC6A2SLC6A3HTR2A
SCHEMBL5507294 0.84 SLC6A4 (0.48) SLC6A4KCNH2SLC6A2SLC6A3HTR2A
SCHEMBL5503317 0.83 SLC6A4 (0.47) SLC6A4KCNH2SLC6A2SLC6A3HTR2A
SCHEMBL5498690 0.83 SLC6A4 (0.47) SLC6A4KCNH2SLC6A2SLC6A3HTR2A
SCHEMBL5502115 0.82 SLC6A4 (0.39) SLC6A4KCNH2SLC6A2SLC6A3HTR2A
SCHEMBL5502216 0.79 SLC6A4 (0.42) SLC6A4KCNH2SLC6A2SLC6A3HTR2A

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
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP claimed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO claimed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 US claimed
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 US 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B SLC6A4 150/4885KCNH2 2331/4885SLC6A2 386/4885

“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.