SCHEMBL4872099

SCHEMBL4872099

c1cn(C2CCCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.44
CYP19A1 P11511 2/20 0.40
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
PGR P06401 1/20 0.34
CYP17A1 P05093 2/20 0.33
QPCT Q16769 2/20 0.33
NFKB1 P19838 1/20 0.33
HSD17B10 Q99714 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
F10 P00742 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PRCP P42785 1/20 0.31
GAA P10253 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
SCHEMBL285095 0.98 CYP2B6 (0.47) CYP2B6CYP19A1CYP3A4CYP2D6HRH1
SCHEMBL10647110 0.98 CYP2B6 (0.47) CYP2B6CYP19A1CYP3A4CYP2D6HRH1
SCHEMBL22939999 0.98 CYP2B6 (0.47) CYP2B6CYP19A1CYP3A4CYP2D6HRH1
SCHEMBL14723543 0.98 CYP2B6 (0.47) CYP2B6CYP19A1CYP3A4CYP2D6HRH1
Water SCHEMBL28907403 0.96 CYP2B6 (0.46) CYP2B6CYP19A1CYP3A4CYP2D6HRH1
SCHEMBL10068593 0.95
SCHEMBL945421 0.90
Ammonia Solution, Strong SCHEMBL28860953 0.88
Hydrochloric Acid SCHEMBL28498519 0.88 CYP19A1 (0.39) CYP2B6CYP19A1CYP3A4CYP2D6HRH1
SCHEMBL27449735 0.87 CYP19A1 (0.36) CYP2B6CYP19A1CYP3A4CYP2D6HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000951-B1 PHARMACEUTICAL FORMULATIONS COMPRISING 1-SUBSTITUTED IMIDAZOLES, 1-SUBSTITUTED IMIDAZOLES AND 1-SUBSTITUTED IMIDAZOLES FOR USE IN THE TREATMENT OR PROPHYLAXIS OF THROMBO-EMBOLIC DISORDERS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-23 EP claimed
US-4284641-A ANTITHROMBOEMBOLIC AGENT BURROUGHS WELLCOME CO. (US) 1981-08-18 US claimed
EP-0000951-A1 Pharmaceutical Formulations comprising 1-substituted imidazoles, 1-substituted imidazoles and 1-substituted imidazoles for use in the treatment or prophylaxis of thrombo-embolic disorders THE WELLCOME FOUNDATION LIMITED (GB) 1979-03-07 EP claimed
CN-107074807-A Compositions and methods for inhibiting histone demethylase 吉利德科学公司 2017-08-18 CN disclosed
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
US-9390864-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2016-07-12 US disclosed
CN-105121439-A Azabenzimidazole compounds as inhibitors of pde4 isozymes for the treatment of cns and other disorders PFIZER 2015-12-02 CN disclosed
US-20150340165-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-9159499-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2015-10-13 US disclosed
CN-101282972-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE (CH) 2008-10-08 CN disclosed
US-7314701-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2008-01-01 US disclosed
US-20050095527-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-05 US disclosed
US-4731363-A Thromboxane synthase inhibitors as insulin lowering agents and antiobesity agents HOFFMANN-LA ROCHE INC. (US) 1988-03-15 US disclosed
US-4591594-A INSULIN LOWERING AGENTS HOFFMANN-LA ROCHE INC. (US) 1986-05-27 US disclosed
US-4500540-A DIETETICS HOFFMANN-LA ROCHE INC. (US) 1985-02-19 US disclosed
EP-0000951-B1 PHARMACEUTICAL FORMULATIONS COMPRISING 1-SUBSTITUTED IMIDAZOLES, 1-SUBSTITUTED IMIDAZOLES AND 1-SUBSTITUTED IMIDAZOLES FOR USE IN THE TREATMENT OR PROPHYLAXIS OF THROMBO-EMBOLIC DISORDERS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-23 EP disclosed
US-4284641-A ANTITHROMBOEMBOLIC AGENT BURROUGHS WELLCOME CO. (US) 1981-08-18 US disclosed
EP-0000951-A1 Pharmaceutical Formulations comprising 1-substituted imidazoles, 1-substituted imidazoles and 1-substituted imidazoles for use in the treatment or prophylaxis of thrombo-embolic disorders THE WELLCOME FOUNDATION LIMITED (GB) 1979-03-07 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 (3 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-20170057993-A1 Ether Compounds for Treatment of Medical Disorders CFD, TFPI, F12 CYP2B6 1252/4885CYP19A1 1378/4885CYP3A4 996/4885
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders CFD, TFPI, CFH CYP2B6 3168/4885CYP19A1 3129/4885CYP3A4 3574/4885
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders CFD, TFPI, CFH CYP2B6 2980/4885CYP19A1 1758/4885CYP3A4 2913/4885

“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.