SCHEMBL5502000

SCHEMBL5502000

CNCc1cc(C)c(Br)cc1Oc1cccc(OC)c1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.48
SLC6A2 P23975 13/20 0.48
SLC6A3 Q01959 10/20 0.48
KCNH2 Q12809 5/20 0.43
HTR2A P28223 6/20 0.41
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL5498154 0.84 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL5501935 0.83 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL5502007 0.82 TAAR1 (0.52) HTR2AHTR2C
SCHEMBL5501242 0.77 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL5501635 0.77 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL14624768 0.76 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
Hydrochloric Acid SCHEMBL5281553 0.76 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL5502955 0.73 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL22910535 0.73 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL5503547 0.73 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2HTR2A

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 150/4885SLC6A2 386/4885SLC6A3 313/4885

“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.