SCHEMBL6050259

SCHEMBL6050259

CC(C)CNC(C)(C)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
ADRA1A P35348 2/20 0.41
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
HIF1A Q16665 2/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33
CACNA2D1 P54289 2/20 0.32
MAPT P10636 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL6050247 0.76 CYP2D6 (0.38) CYP2C19CYP2D6TDP1
SCHEMBL15801183 0.76 CYP2D6 (0.45) CYP2C19CYP2D6ADRA1AHMGCRCHRM1
SCHEMBL17773050 0.75 HMGCR (0.46) CYP2C19CYP2D6ADRA1AHMGCRCHRM1
SCHEMBL12269250 0.73 HMGCR (0.44) CYP2C19CYP2D6ADRA1AHMGCRCHRM1
SCHEMBL21322186 0.73 CYP2D6 (0.46) CYP2C19CYP2D6HIF1ATSHRMMP1
SCHEMBL7117040 0.72 PKM (0.33) CYP2C19CYP2D6TSHRALDH1A1
SCHEMBL6050254 0.71 HMGCR (0.42) CYP2C19CYP2D6ADRA1AHMGCRCHRM1
SCHEMBL23355141 0.71 HMGCR (0.52) CYP2C19CYP2D6ADRA1AHMGCRCHRM1
SCHEMBL25769641 0.70 CYP2D6 (0.42) CYP2C19CYP2D6EPHX1TDP1MMP1
SCHEMBL17199383 0.70 HMGCR (0.41) CYP2C19CYP2D6ADRA1AHMGCRCHRM1

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 22 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-0900796-A1 PREVENTIVES AND REMEDIES FOR ISCHEMIC INTESTINAL LESION AND ILEUS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP 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

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 CYP2C19 2482/4885CYP2D6 2408/4885ADRA1A 6/4885

“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.