SCHEMBL640737

SCHEMBL640737

C1CCN(CCC2CCNCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 4/20 0.50
CYP1A2 P05177 1/20 0.42
CXCR4 P61073 3/20 0.41
GNAI3 P08754 3/20 0.41
GNAI1 P63096 3/20 0.41
RAD52 P43351 1/20 0.39
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL42348 0.98 GNAO1 (0.49) GNAO1CYP1A2CXCR4GNAI3GNAI1
Hydrochloric Acid SCHEMBL6150599 0.98 GNAO1 (0.53) GNAO1CYP1A2CXCR4GNAI3GNAI1
Hydrochloric Acid SCHEMBL4424002 0.96 GNAO1 (0.51) GNAO1CYP1A2CXCR4GNAI3GNAI1
SCHEMBL3440711 0.96 GNAO1 (0.50) GNAO1CYP1A2CXCR4GNAI3GNAI1
SCHEMBL13660827 0.94 GNAO1 (0.46) GNAO1CYP1A2CXCR4GNAI3GNAI1
SCHEMBL13661478 0.92 GNAO1 (0.45) GNAO1CYP1A2CXCR4GNAI3GNAI1
SCHEMBL12843901 0.89 GNAO1 (0.51) GNAO1CXCR4GNAI3GNAI1RAD52
SCHEMBL5848080 0.88 GNAO1 (0.56) GNAO1CXCR4GNAI3GNAI1RAD52
SCHEMBL13660823 0.88 CHRM5 (0.50) GNAO1CYP1A2GNAI3GNAI1RAD52
Hydrochloric Acid SCHEMBL27752774 0.87 GNAO1 (0.54) GNAO1CXCR4GNAI3GNAI1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193604-B1 SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS EPIZYME INC (US) 2021-06-16 EP disclosed
CN-104968345-B 1, 5-naphthyridine derivatives and ME L K inhibitors containing 1, 5-naphthyridine derivatives 肿瘤疗法科学股份有限公司 2018-05-08 CN disclosed
EP-2753329-B1 1,5-NAPHTHYRIDINE DERIVATIVES AS MELK INHIBITORS ONCOTHERAPY SCIENCE INC (JP) 2017-08-09 EP disclosed
US-9345709-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-05-24 US disclosed
US-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-11-19 US disclosed
CN-104968345-A 1, 5-naphthyridine derivatives and MELK inhibitors containing 1, 5-naphthyridine derivatives ONCOTHERAPY SCIENCE INC 2015-10-07 CN disclosed
US-9067937-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-06-30 US disclosed
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-01-01 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2668177-B1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 US disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 WO disclosed
EP-1606288-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2005-12-21 EP disclosed
US-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed
WO-2004087700-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2004-10-14 WO disclosed
EP-1345603-A4 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2004-09-08 EP disclosed
EP-1345603-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2003-09-24 EP disclosed
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 WO disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 US disclosed
WO-2002058695-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2002-08-01 WO 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 (4 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-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 GNAO1 3118/4885CYP1A2 3078/4885CXCR4 4320/4885
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R GNAO1 1547/4885CYP1A2 78/4885CXCR4 296/4885
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 GNAO1 3118/4885CYP1A2 3078/4885CXCR4 4320/4885
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 GNAO1 839/4885CYP1A2 1342/4885CXCR4 1487/4885

“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.