SCHEMBL5497639

SCHEMBL5497639

CN1CCCc2cc(Oc3cc(Cl)ccc3CCN)ccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.39
SLC6A4 P31645 10/20 0.39
KCNH2 Q12809 10/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5999735 0.94 HTR2A (0.41) HTR2ASLC6A4KCNH2
SCHEMBL5497637 0.85 HTR2A (0.58) HTR2ASLC6A4KCNH2
SCHEMBL5999527 0.83 HTR2A (0.39) HTR2ASLC6A4KCNH2
SCHEMBL5998662 0.82 SLC6A4 (0.38) HTR2ASLC6A4KCNH2ALDH1A1MAPT
SCHEMBL5999731 0.80 HTR2A (0.61) HTR2ASLC6A4KCNH2
SCHEMBL5998758 0.80 HTR2A (0.40) HTR2ASLC6A4KCNH2
SCHEMBL5998643 0.79 SOS1 (0.46) HTR2ASLC6A4KCNH2
SCHEMBL6000297 0.76 SLC6A4 (0.39) HTR2ASLC6A4KCNH2
SCHEMBL5999490 0.76 ALDH1A1 (0.35) HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL2616322 0.74 MEN1 (0.58) KCNH2KMT2AMEN1ALDH1A1GAA

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.