SCHEMBL3746503

SCHEMBL3746503

CC(=O)N(C)C1(c2ccccc2)CCN(CC2CC2(C(=O)O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.79
TACR2 P21452 1/20 0.60
TACR1 P25103 1/20 0.60

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
SCHEMBL3741235 1.00 TACR3 (0.79) TACR3TACR2TACR1
SCHEMBL3744886 0.89 TACR3 (0.64) TACR3
SCHEMBL3742058 0.89 TACR3 (0.64) TACR3
SCHEMBL3751174 0.89 TACR3 (0.62) TACR3
SCHEMBL3742048 0.89 TACR3 (0.62) TACR3
SCHEMBL2478814 0.89 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2477088 0.89 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2477608 0.88 TACR3 (0.86) TACR3TACR2TACR1
SCHEMBL2481027 0.88 TACR3 (0.86) TACR3TACR2TACR1
SCHEMBL6023186 0.87 TACR3 (0.85) TACR3TACR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834008-B2 neurokinin receptor 3 (NK3) antagonists; psychological disorders, inflammatory bowel disease, asthma, ischemia, Parkinson's disease; e.g. (1S,2R)-2-(4-Acetylamino-4-phenyl-piperidin-1-ylmethyl)-1-(3,4-dichlorophenyl)-cyclopropanecarboxylic acid, benzyl-methyl-amide H. LUNDBECK A/S (DK) 2010-11-16 US disclosed
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists H. LUNDBECK A/S (DK) 2006-12-14 US disclosed
WO-2005016884-A9 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2006-03-16 WO 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-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists TACR2, SLC6A3, TACR1 TACR3 5/4885TACR2 1/4885TACR1 3/4885

“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.