SCHEMBL5501935

SCHEMBL5501935

CNCc1ccc(Br)cc1Oc1cccc(OC)c1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.52
KCNH2 Q12809 6/20 0.52
HTR2A P28223 6/20 0.52
SLC6A2 P23975 9/20 0.49
SLC6A3 Q01959 7/20 0.49
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL5501242 0.84 SLC6A4 (0.67) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL5502000 0.83 SLC6A4 (0.48) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL30415099 0.82 SLC6A4 (0.57) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL5501939 0.81 TAAR1 (0.50) HTR2A
SCHEMBL5503379 0.80 SLC6A4 (0.60) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL5502955 0.80 SLC6A4 (0.45) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL5504219 0.79 SLC6A4 (0.44) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL5503547 0.79 SLC6A4 (0.44) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL5497517 0.78 SLC6A4 (0.66) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL5498154 0.77 SLC6A4 (0.50) SLC6A4KCNH2HTR2ASLC6A2SLC6A3

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 2331/4885HTR2A 7/4885

“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.