SCHEMBL4139770

SCHEMBL4139770

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)c(C)c1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.83
AVPR2 P30518 6/20 0.83
ABCB11 O95342 2/20 0.83
HTR1A P08908 2/20 0.83
CHRM1 P11229 2/20 0.83
OPRM1 P35372 2/20 0.83
AVPR1B P47901 2/20 0.83
OXTR P30559 1/20 0.83
SLC6A4 P31645 1/20 0.83
ADRA1A P35348 1/20 0.83
ADRB2 P07550 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
TBXA2R P21731 1/20 0.67
HTR2C P28335 1/20 0.67
HRH1 P35367 1/20 0.67
GLP1R P43220 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67
FFAR4 Q5NUL3 1/20 0.67
GPR119 Q8TDV5 1/20 0.67

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
SCHEMBL7345732 0.92 AVPR2 (0.70) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7353622 0.92 AVPR1A (0.76) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7344966 0.92 AVPR1A (0.76) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL4142479 0.92 AVPR2 (0.76) AVPR1AAVPR2ABCB11HTR1ACHRM1
Mozavaptan SCHEMBL15084884 0.91 AVPR1A (1.00) AVPR1AAVPR2ABCB11HTR1ACHRM1
Mozavaptan SCHEMBL29388889 0.91 AVPR1A (1.00) AVPR1AAVPR2ABCB11HTR1ACHRM1
Mozavaptan SCHEMBL1649322 0.91 AVPR1A (1.00) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7359052 0.90 AVPR2 (0.80) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7349794 0.90 AVPR1A (0.73) AVPR1AAVPR2ABCB11HTR1ACHRM1
Mozavaptan SCHEMBL1111095 0.90 AVPR1A (0.98) AVPR1AAVPR2ABCB11HTR1ACHRM1

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
WO-2001054698-A1 METHOD FOR PREVENTING OR TREATING POSTOPERATIVE ILEUS WARNER-LAMBERT COMPANY (US) 2001-08-02 WO claimed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US claimed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP claimed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO claimed
US-10232044-B2 Controlled release aural pressure modulator compositions and methods for the treatment of OTIC disorders OTONOMY, INC. (US) 2019-03-19 US disclosed
US-20090239844-A1 ACE INHIBITOR-VASOPRESSIN ANTAGONIST COMBINATIONS ASTELLAS PHARMA, INC. 2009-09-24 US disclosed
US-7192951-B2 Treatment of congestive heart failure ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
EP-1253945-B1 ACE INHIBITOR-VASOPRESSIN ANTAGONIST COMBINATIONS ASTELLAS PHARMA INC (JP) 2006-10-04 EP disclosed
EP-1280555-B8 PHARMACEUTICAL COMPOSITION COMPRISING FUROSEMIDE AND CONIVAPTAN FOR THE TREATMENT OF CONGESTIVE HEART FAILURE ASTELLAS PHARMA INC (JP) 2006-06-28 EP disclosed
US-20050245506-A1 Treatment of congestive heart failure ASTELLAS IRELAND CO., LTD. (IE) 2005-11-03 US disclosed
US-20050234043-A1 ACE inhibitor-vasopressin antagonist combinations ASTELLAS PHARMA INC. (JP) 2005-10-20 US disclosed
US-20040176354-A1 Treatment of congestive heart failure ASTELLAS PHARMA INC. (JP) 2004-09-09 US disclosed
EP-1195166-A2 Use of a vasopressin antagonist such as conivaptan in the manufacture of a medicament for treating pulmonary hypertension WARNER-LAMBERT COMPANY (US) 2002-04-10 EP disclosed
WO-2001082920-A2 TREATMENT OF CONGESTIVE HEART FAILURE WITH A COMPOSITION COMPRISING A DIURETIC AGENT AND A VASOPRESSIN ANTAGONIST WARNER-LAMBERT COMPANY (US) 2001-11-08 WO disclosed
WO-2001054677-A2 ACE INHIBITOR-VASOPRESSIN ANTAGONIST COMBINATIONS WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 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 (5 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-20050234043-A1 ACE inhibitor-vasopressin antagonist combinations AVPR2, ACE, AGT AVPR1A 5/4885AVPR2 1/4885ABCB11 1880/4885
US-10232044-B2 Controlled release aural pressure modulator compositions and methods for the treatment of OTIC disorders OTC, MYOC, SLC26A4 AVPR1A 667/4885AVPR2 460/4885ABCB11 56/4885
US-20090239844-A1 ACE INHIBITOR-VASOPRESSIN ANTAGONIST COMBINATIONS AVPR2, ACE, AGT AVPR1A 5/4885AVPR2 1/4885ABCB11 1880/4885
US-20050245506-A1 Treatment of congestive heart failure AVPR2, AVPR1A, NPPA AVPR1A 2/4885AVPR2 1/4885ABCB11 175/4885
US-20040176354-A1 Treatment of congestive heart failure AVPR2, NPPA, REN AVPR1A 4/4885AVPR2 1/4885ABCB11 175/4885

“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.