SCHEMBL6050199

SCHEMBL6050199

[CH2]CCNCC(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.39
GABRR1 P24046 2/20 0.37
CYP1A2 P05177 1/20 0.37
FOLH1 Q04609 2/20 0.36
NAALAD2 Q9Y3Q0 2/20 0.36
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ENPEP Q07075 2/20 0.32
BLM P54132 1/20 0.32
S1PR5 Q9H228 2/20 0.31
S1PR4 O95977 1/20 0.31
TP53 P04637 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL11316232 0.81 APAF1 (0.47) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL30776006 0.80 GABRR1 (0.54) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL18197368 0.80 APAF1 (0.40) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL2557155 0.80 APAF1 (0.40) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL29951881 0.80 ANPEP (0.44) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL31275988 0.78 APAF1 (0.43) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL12541389 0.78 APAF1 (0.36) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL17853462 0.78 APAF1 (0.36) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL27818339 0.75 APAF1 (0.37) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL12541378 0.75 CA2 (0.36) APAF1GABRR1CYP1A2FOLH1NAALAD2

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 APAF1 1701/4885GABRR1 294/4885CYP1A2 972/4885

“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.