SCHEMBL7067703

SCHEMBL7067703

Cc1ccc([C@H](C)NC(=O)[C@@](C)(Cc2c[nH]c3ccccc23)NCc2cc3ccccc3o2)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.68
TACR3 P29371 1/20 0.51

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
SCHEMBL7846815 1.00 TACR1 (0.68) TACR1TACR3
SCHEMBL7062087 0.94 TACR1 (0.76) TACR1TACR3
SCHEMBL7853075 0.92 TACR1 (0.59) TACR1TACR3
SCHEMBL7067956 0.91 TACR1 (0.67) TACR1TACR3
SCHEMBL7066516 0.90 TACR1 (0.64) TACR1TACR3
SCHEMBL7846970 0.88 TACR1 (0.65) TACR1TACR3
SCHEMBL7067244 0.88 TACR1 (0.62) TACR1TACR3
SCHEMBL7062350 0.85 TACR1 (0.76) TACR1TACR3
SCHEMBL7067242 0.85 TACR1 (0.62) TACR1TACR3
SCHEMBL7847443 0.85 TACR1 (0.62) TACR1TACR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 US claimed
US-6436914-B1 TREATING DIABETES, OBESITY, DEPRESSION, ACHALASIA OR INTESTINAL HYPERMOTILITY DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2002-08-20 US claimed
US-20020026065-A1 2-hydroxy-3 - (4-hydroxy-3-sulfonamidophenyl) - propylamines useful as beta 3 adrenergic agonists SHER PHILIP M (US) 2002-02-28 US claimed
US-20030065007-A1 NK1 receptor antagonists CRESWELL MARK WALLACE (US) 2003-04-03 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 (2 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-20030065007-A1 NK1 receptor antagonists HRH1, HRH4, HRH2 TACR1 18/4885TACR3 141/4885
US-20020026065-A1 2-hydroxy-3 - (4-hydroxy-3-sulfonamidophenyl) - propylamines useful as beta 3 adrenergic agonists ADRB3, ADRB1, ADRA1A TACR1 245/4885TACR3 734/4885

“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.