SCHEMBL4876954

SCHEMBL4876954

CN(C[C@@H](CC=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.62
TACR1 P25103 2/20 0.56

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
SCHEMBL4610805 1.00 TACR2 (0.62) TACR2TACR1
SCHEMBL8870093 1.00 TACR2 (0.62) TACR2TACR1
SCHEMBL9110425 0.89 TACR2 (0.61) TACR2TACR1
SCHEMBL8580532 0.89 TACR2 (0.51) TACR2TACR1
SCHEMBL8332427 0.88 TACR2 (0.49) TACR2TACR1
SCHEMBL8069511 0.88 TACR2 (0.49) TACR2TACR1
SCHEMBL8063574 0.87 TACR2 (0.48) TACR2TACR1
SCHEMBL8053254 0.87 TACR2 (0.48) TACR2TACR1
SCHEMBL6663184 0.86 TACR2 (0.46) TACR2TACR1
SCHEMBL4257408 0.86 TACR2 (0.46) TACR2TACR1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368461-B2 Compounds and method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2008-05-06 US disclosed
WO-2007088181-A1 NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-08-09 WO disclosed
EP-1444220-B1 COMPOUNDS AND METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-02-14 EP disclosed
EP-1307202-B1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2006-05-17 EP disclosed
US-20050203113-A1 Compounds and method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2005-09-15 US disclosed
US-20040248914-A1 Method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2004-12-09 US disclosed
EP-1450805-A1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER AstraZeneca AB (SE) 2004-09-01 EP disclosed
EP-1444220-A1 COMPOUNDS AND METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER AstraZeneca AB (SE) 2004-08-11 EP disclosed
US-20030187255-A1 Therapeutic heterocycles MILLER SCOTT CARSON (US) 2003-10-02 US disclosed
US-20030139433-A1 Method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2003-07-24 US disclosed
EP-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 EP disclosed
US-5521199-A TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0681571-A1 SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-11-15 EP disclosed
EP-0667858-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-08-23 EP disclosed
WO-1995015961-A1 BICYCLIC HETEROCYCLES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-15 WO disclosed
WO-1995012577-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1995-05-11 WO disclosed
WO-1995005377-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-02-23 WO disclosed
CN-1094723-A Carboxamide derivative ZENECA LTD (GB) 1994-11-09 CN disclosed
WO-1994017045-A1 SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-08-04 WO disclosed
WO-1994010146-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1994-05-11 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 (4 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-20040248914-A1 Method for the treatment of overactive bladder TACR1, TACR2, OGFR TACR2 2/4885TACR1 1/4885
US-20030139433-A1 Method for the treatment of overactive bladder QDPR, PDE3A, HNMT TACR2 75/4885TACR1 35/4885
US-20030187255-A1 Therapeutic heterocycles BDKRB2, TK2, TACR2 TACR2 3/4885TACR1 21/4885
US-20050203113-A1 Compounds and method for the treatment of overactive bladder TACR1, TACR2, BDKRB1 TACR2 2/4885TACR1 1/4885

“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.