SCHEMBL6050267

SCHEMBL6050267

[CH2]CNCC(O)COc1cccc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 5/20 0.67
ADRB2 P07550 4/20 0.67
ADRB1 P08588 4/20 0.67
SIGMAR1 Q99720 4/20 0.67
CYP1A2 P05177 4/20 0.67
CYP2D6 P10635 4/20 0.67
SLC6A4 P31645 3/20 0.67
HTR2B P41595 3/20 0.67
ALDH1A1 P00352 3/20 0.67
ADRB3 P13945 3/20 0.67
HTR2A P28223 3/20 0.67
HTR2C P28335 3/20 0.67
HTR6 P50406 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPK1 P28482 3/20 0.67
SCN1A P35498 2/20 0.67
SLC10A1 Q14973 2/20 0.67
SCN2A Q99250 2/20 0.67
SCN3A Q9NY46 2/20 0.67
HTR1A P08908 2/20 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
SCHEMBL8781936 0.86 NR2E1 (0.71) NR2E1ADRB2ADRB1SIGMAR1CYP1A2
SCHEMBL10969241 0.83 NR2E1 (0.68) NR2E1ADRB2ADRB1SIGMAR1CYP1A2
SCHEMBL18466199 0.83 ADRB2 (0.67) NR2E1ADRB2ADRB1SIGMAR1CYP1A2
SCHEMBL4845731 0.83 ADRB2 (0.67) NR2E1ADRB2ADRB1SIGMAR1CYP1A2
SCHEMBL11534685 0.83 NR2E1 (0.64) NR2E1ADRB2ADRB1SIGMAR1CYP1A2
SCHEMBL10594660 0.83 NR2E1 (0.68) NR2E1ADRB2ADRB1SIGMAR1CYP1A2
SCHEMBL10966415 0.83 NR2E1 (0.68) NR2E1ADRB2ADRB1SIGMAR1CYP1A2
SCHEMBL29437208 0.83 CYP1A2 (0.83) NR2E1ADRB2ADRB1SIGMAR1CYP1A2
SCHEMBL1394219 0.83 CYP1A2 (0.83) NR2E1ADRB2ADRB1SIGMAR1CYP1A2
SCHEMBL8761674 0.82 NR2E1 (0.74) NR2E1ADRB2ADRB1SIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084710-B1 ADENOSINE A1 ANTAGONISTS FOR MALE STERILITY ASTELLAS PHARMA INC (JP) 2006-10-18 EP disclosed
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US disclosed
US-6521656-B1 Contacting sperm with a pyrazolo(1,5-a)pyridine acrosomal reaction induction promoter then joining with ovum FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-0823254-B1 NOVEL USE OF PYRAZOLOPYRIDINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-17 EP disclosed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP disclosed
EP-0497258-B1 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 EP disclosed
US-6303624-B1 PREVENTION AND/OR TREATMENT OF HYPERPHOSPHATEMIA OR SECONDARY HYPERPARATHYROIDISM, INCLUSIVE OF ACCESSORY DISORDERS BY ADMINISTERING A PHARMACEUTICAL COMPOSITION WHICH COMPRISES AN ADENOSINE ANTAGONIST COMPOUND OR ITS SALT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-16 US disclosed
US-6232324-B1 AS HYPERTENSIVE AGENTS FOR DIALYSIS INDUCED HYPOTENSION; ADMINISTERING COMPOUNDS SUCH AS 1-(3-(2-PHENYLPYRAZOLO(1,5-A) PYRIDIN-3-YL)ACRYLOYL)-2-(CARBOXY METHYL)PIPERIDINE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
US-6214843-B1 TREATING AND/OR PREVENTING GASTROINTESTINAL DYSFUNCTION WITH A PYRAZOLOPYRIDINE COMPOUND WHICH COMPRISES AN ADENOSINE ANTAGONIST COMPOUND OR ITS SALT FUJITSAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-10 US disclosed
EP-0467248-B1 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 EP disclosed
EP-0823254-A1 NOVEL USE OF PYRAZOLOPYRIDINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
EP-0644762-B1 PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF ANEMIA FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-17 EP disclosed
US-5643938-A RAISING THE ERYTHROPOIETIN LEVEL IN HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0644762-A1 PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF ANEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed
US-5338743-A Pancreatitis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-16 US disclosed
WO-1993025205-A1 PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF ANEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-12-23 WO disclosed
US-5204346-A Cognition activators; analgesics; antidepressants; vasodilation; cardiovascular and urogential disorders; FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-04-20 US disclosed
EP-0497258-A2 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
EP-0467248-A2 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-22 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-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist ADORA2A, ADORA1, ADORA2B NR2E1 1182/4885ADRB2 16/4885ADRB1 21/4885

“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.