SCHEMBL6616615

SCHEMBL6616615

c1cnc2c(c1)CNc1ccccc1O2

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX5 P09917 1/20 0.38
DHODH Q02127 1/20 0.38
HTR5A P47898 2/20 0.37
ABCC4 O15439 1/20 0.36
PTGS1 P23219 1/20 0.36
EGFR P00533 2/20 0.36
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL7339970 0.87 GAA (0.64) GAANPSR1MEN1MAPTKMT2A
SCHEMBL1368071 0.78 GAA (1.00) GAANPSR1MEN1MAPTKMT2A
SCHEMBL31151882 0.75 MAOA (0.59) GAANPSR1MAPTABCC4PTGS1
SCHEMBL1648508 0.75 MAOA (0.59) GAANPSR1MAPTABCC4PTGS1
SCHEMBL12396547 0.75 ALOX5 (0.59) GAANPSR1MEN1KMT2AALOX5
SCHEMBL18796247 0.74 CA12 (0.37) GAANPSR1MEN1KMT2AABCC4
SCHEMBL13098108 0.72 GAA (0.62) GAANPSR1MEN1MAPTKMT2A
SCHEMBL7022937 0.71 ABCC4 (0.37) GAANPSR1MAPTABCC4PTGS1
SCHEMBL17349126 0.71 ABCC4 (0.35) GAANPSR1ABCC4PTGS1PDE1A
SCHEMBL14084320 0.69 GAA (0.63) GAANPSR1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063038-B2 vasopressin V2 receptor agonists for treating nocturnal enuresis, nocturia, diabetes insipidus, urinary incontinence and bleeding disorders; {1-[4-(5H,11H-Benzo[e]pyrrolo[1,2- alpha ][1,4]diazepine-10-carbonyl)-2-methylbenzylcarbamoyl]-8-fluoro-1,2,3,4-tetrahydroquinolin-4-yl}acetic acid ethyl ester VANTIA LIMITED (GB) 2011-11-22 US disclosed
US-8063038-B2 vasopressin V2 receptor agonists for treating nocturnal enuresis, nocturia, diabetes insipidus, urinary incontinence and bleeding disorders; {1-[4-(5H,11H-Benzo[e]pyrrolo[1,2- alpha ][1,4]diazepine-10-carbonyl)-2-methylbenzylcarbamoyl]-8-fluoro-1,2,3,4-tetrahydroquinolin-4-yl}acetic acid ethyl ester VANTIA LIMITED (GB) 2011-11-22 US disclosed
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP disclosed
US-7560454-B2 Condensed azepines as vasopressin agonists VANTIA LIMITED (GB) 2009-07-14 US disclosed
US-7560454-B2 Condensed azepines as vasopressin agonists VANTIA LIMITED (GB) 2009-07-14 US disclosed
US-20080261951-A1 Condensed azepines as vasopressin agonists ASHWORTH DOREEN MARY 2008-10-23 US disclosed
US-20080261951-A1 Condensed azepines as vasopressin agonists ASHWORTH DOREEN MARY 2008-10-23 US disclosed
US-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents FERRING B.V. 2008-09-25 US disclosed
US-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents FERRING B.V. 2008-09-25 US disclosed
EP-1294698-B1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING BV (NL) 2007-08-01 EP disclosed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US disclosed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US disclosed
WO-2006018443-A1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS FERRING B.V. (NL) 2006-02-23 WO disclosed
EP-1000059-B1 TRICYCLIC VASOPRESSIN AGONISTS WYETH CORP (US) 2004-09-29 EP disclosed
US-6194407-B1 INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-02-27 US disclosed
US-6090803-A ANTIDIABETIC AGENTS; INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-18 US disclosed
EP-1000059-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
WO-1999006403-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed
EP-0804420-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 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-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents AVPR2, AVPR1A, AVPR1B GAA 3724/4885NPSR1 21/4885MEN1 359/4885
US-20080261951-A1 Condensed azepines as vasopressin agonists AVPR2, AVPR1A, AVPR1B GAA 4608/4885NPSR1 48/4885MEN1 327/4885

“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.