SCHEMBL5497637

SCHEMBL5497637

CNCc1ccc(Cl)cc1Oc1ccc2c(c1)CCCN2C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.58
KCNH2 Q12809 20/20 0.58
SLC6A4 P31645 19/20 0.58

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
SCHEMBL5999731 0.93 HTR2A (0.61) HTR2AKCNH2SLC6A4
SCHEMBL5497639 0.85 HTR2A (0.39) HTR2AKCNH2SLC6A4
SCHEMBL5999517 0.83 HTR2A (0.58) HTR2AKCNH2SLC6A4
SCHEMBL5998658 0.82 HTR2A (0.57) HTR2AKCNH2SLC6A4
SCHEMBL5998753 0.81 HTR2A (0.57) HTR2AKCNH2SLC6A4
SCHEMBL5999510 0.80 HTR2A (0.58) HTR2AKCNH2SLC6A4
SCHEMBL5999735 0.79 HTR2A (0.41) HTR2AKCNH2SLC6A4
SCHEMBL5998641 0.77 HTR2A (0.63) HTR2AKCNH2SLC6A4
SCHEMBL6000292 0.76 HTR2A (0.58) HTR2AKCNH2SLC6A4
SCHEMBL5999484 0.75 SLC6A4 (0.50) HTR2AKCNH2SLC6A4

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 7/4885KCNH2 2331/4885SLC6A4 150/4885

“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.