SCHEMBL5502007

SCHEMBL5502007

COc1cccc(Oc2cc(Br)c(C)cc2CCN)c1C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.52
HTR2A P28223 3/20 0.52
HTR2C P28335 2/20 0.52
ADRA1A P35348 1/20 0.46
HTR2B P41595 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
SCHEMBL5498157 0.84 TAAR1 (0.52) TAAR1HTR2AHTR2CADRA1A
SCHEMBL31455925 0.83 HTR2A (0.74) TAAR1HTR2AHTR2CADRA1AHTR2B
SCHEMBL5501939 0.83 TAAR1 (0.50) TAAR1HTR2AHTR2CADRA1A
SCHEMBL5502000 0.82 SLC6A4 (0.48) HTR2AHTR2C
SCHEMBL5501642 0.78 TAAR1 (0.51) TAAR1HTR2AHTR2CADRA1AHTR2B
SCHEMBL5501246 0.77 TAAR1 (0.50) TAAR1HTR2AADRA1A
Hydrochloric Acid SCHEMBL5457539 0.77 TAAR1 (0.50) TAAR1HTR2AHTR2CADRA1AHTR2B
SCHEMBL3062955 0.73 TAAR1 (0.69) TAAR1HTR2AADRA1A
SCHEMBL5504223 0.73 TAAR1 (0.44) TAAR1HTR2AADRA1A
SCHEMBL5809547 0.70 HTR2A (1.00) TAAR1HTR2AHTR2CHTR2B

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 TAAR1 283/4885HTR2A 7/4885HTR2C 2/4885

“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.