SCHEMBL5497523

SCHEMBL5497523

Cc1c(Cl)ccc(Oc2cc(Br)ccc2CCN)c1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
TAAR1 Q96RJ0 4/20 0.37
ADRA1A P35348 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2C P28335 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL5503382 0.90 HTR2A (0.40) HTR2ASLC6A4KCNH2TAAR1ADRA1A
SCHEMBL5502216 0.86 SLC6A4 (0.42) HTR2ASLC6A4KCNH2TAAR1ADRA1A
SCHEMBL6000440 0.82 HTR1D (0.39) TAAR1ADRA1ACYP1A2
SCHEMBL5497517 0.81 SLC6A4 (0.66) HTR2ASLC6A4KCNH2
SCHEMBL5502917 0.81 TAAR1 (0.45) HTR2ASLC6A4KCNH2TAAR1ADRA1A
SCHEMBL5502490 0.81 KDM4E (0.39) TAAR1ADRA1A
SCHEMBL5497370 0.80 SOS1 (0.41) TAAR1ALDH1A1
SCHEMBL5999811 0.80 PNMT (0.35) TAAR1ADRA1A
SCHEMBL6000097 0.80 HTR1D (0.36) HTR2ATAAR1ADRA1ACYP1A2
SCHEMBL6000320 0.80 TAAR1 (0.34) KCNH2TAAR1ADRA1AALDH1A1CYP1A2

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 HTR2A 7/4885SLC6A4 150/4885KCNH2 2331/4885

“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.