SCHEMBL6050249

SCHEMBL6050249

O=CCCCCC1CCCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MLNR O43193 1/20 0.42
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42
FYN P06241 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL7349463 0.86 KMT2A (0.46) HRH3KMT2ACYP2D6MEN1LMNA
SCHEMBL4715155 0.81 HRH3 (0.39) HRH3KMT2ACYP2D6MEN1LMNA
SCHEMBL6416529 0.80
SCHEMBL5663632 0.79 HRH3 (0.45) HRH3KMT2ACYP2D6MEN1LMNA
SCHEMBL4386162 0.76 HRH3 (0.50) HRH3KMT2ACYP2D6MEN1LMNA
SCHEMBL5258302 0.76 HRH3 (0.38) HRH3KMT2ACYP2D6MEN1LMNA
SCHEMBL11163006 0.75 SIGMAR1 (0.47) HRH3KMT2ACYP2D6MEN1LMNA
SCHEMBL293993 0.75 HRH3 (0.45) HRH3KMT2ACYP2D6MEN1LMNA
SCHEMBL5468905 0.75 HRH3 (0.49) HRH3KMT2ACYP2D6MEN1LMNA
SCHEMBL6196925 0.75 HRH3 (0.45) HRH3KMT2ACYP2D6MEN1LMNA

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 27 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
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 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
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
WO-1993025205-A1 PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF ANEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-12-23 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 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-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 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 HRH3 301/4885KMT2A 375/4885CYP2D6 2408/4885

“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.