SCHEMBL4865304

SCHEMBL4865304

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.39
TACR1 P25103 2/20 0.38
F2R P25116 1/20 0.37
CCR5 P51681 1/20 0.36

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
SCHEMBL4610589 1.00 TACR2 (0.39) TACR2TACR1F2RCCR5
SCHEMBL8483223 0.86 TACR2 (0.41) TACR2TACR1F2RCCR5
SCHEMBL4870085 0.85 TACR2 (0.46) TACR2TACR1CCR5
SCHEMBL756561 0.85 TACR2 (0.46) TACR2TACR1CCR5
SCHEMBL759265 0.84 TACR2 (0.44) TACR2TACR1CCR5
SCHEMBL7315171 0.83 TACR2 (0.45) TACR2TACR1CCR5
SCHEMBL4257408 0.83 TACR2 (0.46) TACR2TACR1
SCHEMBL6663184 0.83 TACR2 (0.46) TACR2TACR1
SCHEMBL8559300 0.82 F2R (0.52) TACR2F2R
SCHEMBL8062537 0.78 SLC6A4 (0.37)

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 27 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
EP-1444220-B1 COMPOUNDS AND METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-02-14 EP disclosed
US-20050203113-A1 Compounds and method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2005-09-15 US disclosed
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1444220-A1 COMPOUNDS AND METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER AstraZeneca AB (SE) 2004-08-11 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
WO-2003037889-A1 COMPOUNDS AND METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
US-6403601-B1 TREATMENT OF ASTHMA, ANXIETY, DEPRESSION, EMESIS, URINARY INCONTINENCE AND RELATED CONDITIONS. ASTRAZENECA AB (SE) 2002-06-11 US disclosed
US-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed
EP-1137637-A1 N-(2-PHENYL-4-PIPERIDINYLBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-10-04 EP disclosed
US-5962462-A COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). MERCK & CO., INC. (US) 1999-10-05 US disclosed
US-5869496-A TREATING ASTHMA, EMESIS MERCK & CO., INC. (US) 1999-02-09 US disclosed
EP-0681571-B1 SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-07-29 EP disclosed
WO-1998025604-A1 SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed
WO-1998025617-A1 SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed
WO-1998025605-A1 SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed
EP-0702681-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO. INC. (US) 1996-03-27 EP disclosed
EP-0681571-A1 SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-11-15 EP disclosed
WO-1994029309-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-12-22 WO disclosed
WO-1994017045-A1 SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-08-04 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-20050203113-A1 Compounds and method for the treatment of overactive bladder TACR1, TACR2, BDKRB1 TACR2 2/4885TACR1 1/4885F2R 68/4885

“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.