Sugi Predict

Sugi Predict / Compounds / SCHEMBL182054

SCHEMBL182054

SCHEMBL182054

CN[C@H](C)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ SHBG P04278 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ EPHX1 P07099 3/20 0.35
▸ DAPK3 O43293 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CDC42BPA Q5VT25 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ PLK3 Q9H4B4 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34

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
SCHEMBL22924338 1.00 CA12 (0.45) CA12CA1CA2MMP2CA9
SCHEMBL178512 1.00 CA12 (0.45) CA12CA1CA2MMP2CA9
SCHEMBL22924059 1.00 CA12 (0.45) CA12CA1CA2MMP2CA9
SCHEMBL172724 1.00 CA12 (0.45) CA12CA1CA2MMP2CA9
SCHEMBL22924061 1.00 CA12 (0.45) CA12CA1CA2MMP2CA9
SCHEMBL23020214 1.00 CA12 (0.45) CA12CA1CA2MMP2CA9
SCHEMBL21583727 1.00 CA12 (0.45) CA12CA1CA2MMP2CA9
SCHEMBL22924352 1.00 CA12 (0.45) CA12CA1CA2MMP2CA9
SCHEMBL17469477 0.97 — —
SCHEMBL3244738 0.97 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 — — US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 — — US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 — — US disclosed
WO-2015120062-A2 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2015-08-13 — — WO disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 — — US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 — — US disclosed
US-8481494-B2 Compounds for the treatment of diseases related to protein misfolding UNIVERSITAT DUISBURG-ESSEN (DE) 2013-07-09 — — US disclosed
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 — — US disclosed
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 — — US disclosed
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 — — US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 — — US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 — — US disclosed
CN-1956964-A Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2007-05-02 — — CN disclosed
WO-2007020502-A2 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PHARMACIA & UPJOHN COMPANY LLC (US) 2007-02-22 — — WO disclosed
EP-1735286-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-27 — — EP disclosed
US-20050228034-A1 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 — — US disclosed
WO-2005095353-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 — — 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 (5 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-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 CA12 4091/4885CA1 3930/4885CA2 3387/4885
US-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 CA12 1722/4885CA1 3176/4885CA2 2735/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 CA12 4677/4885CA1 4657/4885CA2 2413/4885
US-20050228034-A1 Tetrahydro-indazole cannabinoid modulators CNR2, CNR1, GPR18 CA12 4286/4885CA1 3425/4885CA2 3879/4885
US-20070254873-A1 Chemical Compounds IKBKG, NFKBIA, RELA CA12 3708/4885CA1 4013/4885CA2 1816/4885

“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.