SCHEMBL6050218

SCHEMBL6050218

CCCCC([NH])C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.38
CA2 P00918 7/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 4/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL7055552 0.92 OPRM1 (0.40) DNM1CA2CA1TSHRFDPS
SCHEMBL9212808 0.90 LMNA (0.41) DNM1CA2TSHRFDPSLMNA
SCHEMBL9206428 0.90 LMNA (0.41) DNM1CA2TSHRFDPSLMNA
SCHEMBL9204541 0.90 LMNA (0.41) DNM1CA2TSHRFDPSLMNA
SCHEMBL9207568 0.90 LMNA (0.41) DNM1CA2TSHRFDPSLMNA
SCHEMBL9204961 0.90 LMNA (0.41) DNM1CA2TSHRFDPSLMNA
SCHEMBL9209590 0.90 LMNA (0.41) DNM1CA2TSHRFDPSLMNA
SCHEMBL9211948 0.90 LMNA (0.41) DNM1CA2TSHRFDPSLMNA
SCHEMBL5933050 0.82
SCHEMBL18812607 0.71 FDPS (0.41) DNM1CA2MAPK1CA1ALDH1A1

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 33 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
EP-0994108-B1 PROCESS FOR PRODUCING 2-HYDROXYBENZAMIDE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-05-14 EP 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-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-5179103-A Diuretics, hypotensive agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1993-01-12 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
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
US-5102878-A Treating psychological, bone, cardiovascular, blood disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
US-5102869-A Urogenital disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
US-5087629-A Diuretics, hypotensive agents; cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-11 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed
US-4994453-A Treating asthma, diabetes, obesity, immunosuppression FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
US-4925849-A DIURETICS, HYPOTENSIVE AGENTS, CARIOTONIC AGENTS AND ANTIEDEMIC AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-15 US disclosed
EP-0299209-A2 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-18 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 DNM1 1124/4885CA2 1208/4885MAPK1 1069/4885

“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.