SCHEMBL3747103

SCHEMBL3747103

O=C(N1CCCCC1)C1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 15/20 0.75
TACR2 P21452 1/20 0.51
TACR1 P25103 1/20 0.51
HSD11B1 P28845 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3752488 1.00 TACR3 (0.75) TACR3TACR2TACR1HSD11B1MEN1
SCHEMBL3746695 0.89 TACR3 (0.61) TACR3HSD11B1
SCHEMBL3748695 0.89 TACR3 (0.61) TACR3HSD11B1
SCHEMBL3751180 0.89 HSD11B1 (0.61) TACR3HSD11B1MEN1KMT2A
SCHEMBL3748127 0.89 HSD11B1 (0.61) TACR3HSD11B1MEN1KMT2A
SCHEMBL3748225 0.86 TACR3 (0.58) TACR3HSD11B1MEN1KMT2A
SCHEMBL3743958 0.86 TACR3 (0.58) TACR3HSD11B1MEN1KMT2A
SCHEMBL2477367 0.86 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2479311 0.86 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2475690 0.86 TACR3 (0.87) 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 5 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 claimed
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists H. LUNDBECK A/S (DK) 2006-12-14 US claimed
WO-2005016884-A9 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2006-03-16 WO claimed
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

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.