SCHEMBL386603

SCHEMBL386603

ICCCC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
SIGMAR1 Q99720 4/20 0.52
EPHX1 P07099 1/20 0.36
HPGD P15428 1/20 0.34
KDM5A P29375 2/20 0.34
PHF8 Q9UPP1 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM4A O75164 1/20 0.34
CEL P19835 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
SCHEMBL4673567 0.97
SCHEMBL13460042 0.92 SIGMAR1 (0.56) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL2112328 0.90 SIGMAR1 (0.60) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL18978572 0.90 SIGMAR1 (0.60) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL8281752 0.89 SIGMAR1 (0.52) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL18978574 0.86 SIGMAR1 (0.56) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL14185936 0.85
SCHEMBL10037464 0.83
SCHEMBL1581527 0.82
SCHEMBL7739788 0.82 CYP1A2 (0.48) CYP1A2SIGMAR1EPHX1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037398-B1 METHOD FOR MANUFACTURING CHEMICAL COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-03-10 EP disclosed
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 US disclosed
US-9982087-B2 Method for producing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-29 US disclosed
US-9982087-B2 Method for producing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-29 US disclosed
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 US disclosed
US-20160200861-A1 METHOD FOR PRODUCING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-14 US disclosed
US-20160200861-A1 METHOD FOR PRODUCING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-14 US disclosed
EP-3037398-A1 METHOD FOR MANUFACTURING CHEMICAL COMPOUND Sumitomo Chemical Company, Limited (JP) 2016-06-29 EP disclosed
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 US disclosed
US-5990317-A HISTAMINE H3 RECEPTOR ANTAGONIST FOR TREATING CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-11-23 US disclosed
EP-0837679-A4 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES GLIATECH INC (US) 1999-03-03 EP disclosed
EP-0837679-A1 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES Gliatech, Inc. (US) 1998-04-29 EP disclosed
US-5652258-A HISTAMINE ANTAGONISTS GLIATECH, INC. (US) 1997-07-29 US disclosed
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO disclosed
WO-1996038141-A1 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES GLIATECH, INC. (US) 1996-12-05 WO disclosed
WO-1994011378-A1 ARYL THIOPYRANO[2,3,4-c,d]INDOLES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-05-26 WO disclosed
US-5314900-A Aryl thiopyrano[2,3,4-C,D]indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-05-24 US disclosed
US-5202321-A Antihistamine, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-04-13 US disclosed
EP-0518426-A1 Thiopyrano (2,3,4-c,d) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-12-16 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 (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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 CYP1A2 288/4885SIGMAR1 93/4885EPHX1 1616/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 CYP1A2 288/4885SIGMAR1 93/4885EPHX1 1616/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 CYP1A2 288/4885SIGMAR1 93/4885EPHX1 1616/4885
US-20160200861-A1 METHOD FOR PRODUCING COMPOUND NUDT1, OSGEP, CNOT9 CYP1A2 785/4885SIGMAR1 4278/4885EPHX1 3411/4885

“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.