SCHEMBL728754

SCHEMBL728754

C1CCCCC(N2CCCCCCCCC2)CCCC1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.54
PHGDH O43175 1/20 0.48
MGLL Q99685 1/20 0.48
L3MBTL3 Q96JM7 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SLC18A3 Q16572 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2107230 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL87921 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL22216666 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL60131 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL1828721 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL24782761 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL21422636 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL21057384 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL21057351 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL11147768 1.00 HTR6 (0.54) HTR6PHGDHMGLLL3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414545-A Use of a vitrimer-type thermosetting resin composition for manufacturing electrical insulation parts 阿科玛法国公司 2017-02-15 CN claimed
EP-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 EP claimed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 US claimed
US-9137973-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US claimed
EP-2778155-A1 2-aminopyridine derivatives useful as kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-09-17 EP claimed
US-8809335-B2 Pyrazolopyrimidine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 US claimed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US claimed
CN-102131807-B Pyrazolopyridine kinase inhibitors VERTEX PHARMA 2013-11-20 CN claimed
US-8569337-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-29 US claimed
EP-2328896-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2013-10-23 EP claimed
US-20050197363-A1 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS (US) 2005-09-08 US claimed
WO-2005068461-A1 STEREOISOMERIC COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARYX THERAPEUTICS (US) 2005-07-28 WO claimed
US-20020128232-A1 Heterocyclic angiogenesis inhibitors STARPHARMA LIMITED (AU) 2002-09-12 US claimed
WO-2002030886-A2 HETEROCYCLIC ANGIOGENESIS INHIBITORS MATTHEWS BARRY R (AU) 2002-04-18 WO claimed
US-4820695-A GRAMNEGATIVE BACTERIA ELI LILLY AND COMPANY (US) 1989-04-11 US claimed
EP-0124216-B1 C-20- AND C-23-MODIFIED MACROLIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1988-10-26 EP claimed
EP-0103465-B1 20-AMINO MACROLIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1986-09-10 EP claimed
EP-0124216-A1 C-20- and C-23-modified macrolide derivatives ELI LILLY AND COMPANY (US) 1984-11-07 EP claimed
US-4468511-A C-20- And C-23-Modified macrolide derivatives ELI LILLY AND COMPANY (US) 1984-08-28 US claimed
EP-0103465-A1 20-Amino macrolide derivatives ELI LILLY AND COMPANY (US) 1984-03-21 EP claimed

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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HTR6 3265/4885PHGDH 946/4885MGLL 2413/4885
US-20020128232-A1 Heterocyclic angiogenesis inhibitors KDR, CBR3, OGFR HTR6 2223/4885PHGDH 2341/4885MGLL 3593/4885
US-20050197363-A1 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders CCKBR, GRPR, HRH2 HTR6 125/4885PHGDH 1061/4885MGLL 2420/4885

“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.