SCHEMBL1387902

SCHEMBL1387902

CN(C[C@@H](CCN1CCC(N2CCCNC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.72

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
SCHEMBL29395251 1.00 TACR2 (0.72) TACR2
SCHEMBL1387904 1.00 TACR2 (0.72) TACR2
Hydrochloric Acid SCHEMBL5813499 0.99 TACR2 (0.71) TACR2
Hydrochloric Acid SCHEMBL6057713 0.99 TACR2 (0.71) TACR2
SCHEMBL9217768 0.98 TACR2 (0.71) TACR2
Hydrochloric Acid SCHEMBL7045673 0.97 TACR2 (0.70) TACR2
Maleic Acid SCHEMBL6057634 0.96 TACR2 (0.67) TACR2
Fumaric Acid SCHEMBL6057636 0.96 TACR2 (0.67) TACR2
SCHEMBL8437859 0.95 TACR2 (0.74) TACR2
SCHEMBL7047293 0.95 TACR2 (0.74) TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307202-B1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2006-05-17 EP claimed
US-20040248914-A1 Method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2004-12-09 US claimed
EP-1450805-A1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER AstraZeneca AB (SE) 2004-09-01 EP claimed
US-20030139433-A1 Method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2003-07-24 US claimed
WO-2003037341-A1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2003-05-08 WO claimed
EP-1307202-A1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER AstraZeneca AB (SE) 2003-05-07 EP claimed
WO-2001097811-A1 METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2001-12-27 WO claimed
EP-0714392-B1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LTD (GB) 1998-11-04 EP claimed
JP-H09501439-A 1997-02-10 JP claimed
US-5567700-A USEFUL FOR TREATING ASTHMA ZENECA LIMITED (GB) 1996-10-22 US claimed
EP-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 EP claimed
WO-1995005377-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-02-23 WO claimed
EP-1345899-B1 N-substituted amides as NK1 receptor antagonists ASTRAZENECA AB (SE) 2009-01-14 EP disclosed
EP-1276729-B1 NEW NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2008-07-09 EP disclosed
EP-1324992-B1 CYCLIZED BENZAMIDE NEUROKININ ANTAGONISTS FOR USE IN THERAPY ASTRAZENECA AB (SE) 2007-08-08 EP disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-6090824-A Therapeutic neurokinin receptor antagonist compounds ZENECA LIMITED (GB) 2000-07-18 US disclosed
US-5990130-A NOVEL 4-SUBSTITUTED PIPERIDINE DERIVATIVES WHICH ANTAGONIZE NEUROKININ; USEFUL IN TREATMENT OF ASMTHMA AND RELATED CONDITIONS ZENECA LIMITED (GB) 1999-11-23 US disclosed
US-5567700-A USEFUL FOR TREATING ASTHMA ZENECA LIMITED (GB) 1996-10-22 US disclosed
WO-1995005377-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-02-23 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 (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-20040248914-A1 Method for the treatment of overactive bladder TACR1, TACR2, OGFR TACR2 2/4885
US-20030139433-A1 Method for the treatment of overactive bladder QDPR, PDE3A, HNMT TACR2 75/4885

“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.