SCHEMBL5497556

SCHEMBL5497556

NCCc1ccc(Cl)cc1Oc1ccc2c(c1)COC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.41
SLC6A4 P31645 13/20 0.41
KCNH2 Q12809 13/20 0.41
SOS1 Q07889 1/20 0.40
HRH1 P35367 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
ADRA1A P35348 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 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
Formic Acid SCHEMBL5998672 0.93 SOS1 (0.39) HTR2ASLC6A4KCNH2SOS1HRH1
SCHEMBL5503447 0.82 HTR2A (0.41) HTR2ASLC6A4KCNH2SOS1HRH1
SCHEMBL5497555 0.81 HTR2A (0.67) HTR2ASLC6A4KCNH2
SCHEMBL5998670 0.79 HTR2A (0.38) HTR2ASLC6A4KCNH2
SCHEMBL5502199 0.77 SLC6A4 (0.46) HTR2ASLC6A4KCNH2SOS1HRH1
SCHEMBL5999972 0.77 HTR2A (0.39) HTR2ASLC6A4KCNH2SOS1
SCHEMBL5501871 0.77 SLC6A4 (0.39) HTR2ASLC6A4KCNH2SOS1HRH1
Formic Acid SCHEMBL5998708 0.76 SOS1 (0.39) HTR2ASLC6A4KCNH2SOS1HRH1
SCHEMBL5999735 0.76 HTR2A (0.41) HTR2ASLC6A4KCNH2SOS1ADRA1A
Formic Acid SCHEMBL5998665 0.76 HTR2A (0.58) HTR2ASLC6A4KCNH2

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.