SCHEMBL1346239

SCHEMBL1346239

c1ccc2c(c1)Cn1cccc1CN2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AVPR1A P37288 8/20 0.37
AVPR2 P30518 6/20 0.37
HSD17B3 P37058 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
MAPK1 P28482 1/20 0.33
BRPF1 P55201 1/20 0.32
HTR5A P47898 1/20 0.32
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL6627065 0.98 ALOX15 (0.43) ALOX15HSD17B10GAANPSR1AVPR1A
SCHEMBL4147793 0.75 BRD4 (0.31) BRD4
SCHEMBL5738251 0.74 ALOX15 (0.43) ALOX15HSD17B10GAANPSR1HSD17B3
SCHEMBL5782766 0.73 ADRA1B (0.36) AVPR1AAVPR2
SCHEMBL5738285 0.72 ALOX15 (0.42) ALOX15HSD17B10GAANPSR1HSD17B3
SCHEMBL5740273 0.72
SCHEMBL6627071 0.71 ALOX15 (0.41) ALOX15HSD17B10GAANPSR1HSD17B3
SCHEMBL5739900 0.71 AVPR2 (0.33) AVPR1AAVPR2
SCHEMBL4272726 0.71 AVPR1A (0.41) AVPR1AAVPR2HTR2ADRD3
SCHEMBL5628716 0.71 ALOX5 (0.39) ALOX15HSD17B10AVPR1AAVPR2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO 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
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
US-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US disclosed
US-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US disclosed
EP-0805813-A1 TRICYCLIC VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-12 EP disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
US-5612334-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-03-18 US disclosed
US-5610156-A USED IN TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1997-03-11 US disclosed
WO-1996022293-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
WO-1996022292-A1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5536718-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1996-07-16 US disclosed
US-5521173-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-28 US disclosed
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
EP-0636625-A2 Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1995-02-01 EP 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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 ALOX15 419/4885HSD17B10 434/4885GAA 425/4885

“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.