SCHEMBL5502115

SCHEMBL5502115

NCCc1ccc(Cl)cc1Oc1ccc(F)c2c1CCC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.39
HTR2A P28223 8/20 0.39
KCNH2 Q12809 6/20 0.39
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 3/20 0.38
SOS1 Q07889 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
SCN9A Q15858 2/20 0.33
RXRG P48443 1/20 0.33
ADRA1A P35348 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL5502109 0.82 SLC6A4 (0.60) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5503983 0.82 SLC6A4 (0.50) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5999490 0.73 ALDH1A1 (0.35) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5501094 0.73 SLC6A4 (0.48) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5497428 0.73 SLC6A4 (0.45) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5497245 0.71 SLC6A4 (0.49) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5502216 0.71 SLC6A4 (0.42) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5498728 0.71 ADRA1A (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5507294 0.70 SLC6A4 (0.48) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5502812 0.70 SOS1 (0.47) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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 SLC6A4 150/4885HTR2A 7/4885KCNH2 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.