SCHEMBL5498728

SCHEMBL5498728

COc1ccc(CCN)c(Oc2ccc(Cl)cc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
SLC6A4 P31645 7/20 0.46
KCNH2 Q12809 6/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 7/20 0.42
SOS1 Q07889 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 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
SCHEMBL5503983 0.87 SLC6A4 (0.50) ADRA1ATAAR1SLC6A4KCNH2SLC6A2
SCHEMBL5501094 0.84 SLC6A4 (0.48) ADRA1ATAAR1SLC6A4KCNH2SLC6A2
SCHEMBL5498722 0.83 SLC6A4 (0.68) SLC6A4KCNH2SLC6A2SLC6A3HTR2A
SCHEMBL5497428 0.81 SLC6A4 (0.45) ADRA1ATAAR1SLC6A4KCNH2SLC6A2
SCHEMBL5497245 0.80 SLC6A4 (0.49) ADRA1ATAAR1SLC6A4KCNH2SLC6A2
SCHEMBL5507294 0.78 SLC6A4 (0.48) ADRA1ATAAR1SLC6A4KCNH2SLC6A2
SCHEMBL5502812 0.78 SOS1 (0.47) ADRA1ATAAR1SLC6A4KCNH2SLC6A2
SCHEMBL5503317 0.77 SLC6A4 (0.47) ADRA1ATAAR1SLC6A4KCNH2SLC6A2
SCHEMBL5498690 0.77 SLC6A4 (0.47) ADRA1ATAAR1SLC6A4KCNH2SLC6A2
SCHEMBL6451017 0.77 HTR2A (0.67) ADRA1ATAAR1SLC6A4KCNH2CYP1A2

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 ADRA1A 512/4885TAAR1 283/4885SLC6A4 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.