SCHEMBL13306237

SCHEMBL13306237

CCC1CCC(C)N(C)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 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
SCHEMBL23600274 1.00 NCF1 (0.30) NCF1
SCHEMBL18535422 0.82
SCHEMBL20866245 0.82
SCHEMBL6628506 0.79 BRD4 (0.36)
SCHEMBL7970982 0.79 BRD4 (0.36)
SCHEMBL19233809 0.78
SCHEMBL15368442 0.78
SCHEMBL8748218 0.78
SCHEMBL2757100 0.78
SCHEMBL13953549 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-09-23 US disclosed
WO-2021119834-A1 MODULATORS OF CULLIN 3 ADAPTOR KBTBD4 AS ANTI-CANCER COMPOUNDS UNIVERSITE DE MONTREAL (CA) 2021-06-24 WO disclosed
EP-3134409-B1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS UNIV MONTREAL (CA) 2020-02-12 EP disclosed
EP-3194602-B1 COMPOUNDS AND METHODS FOR ENHANCING VIRAL GENE TRANSFER TO HUMAN HEMATOPOIETIC CELLS UNIV MONTREAL (CA) 2019-11-06 EP disclosed
WO-2019161494-A1 EXPANSION OF NK AND DC CELLS IN VIVO MEDIATING IMMUNE RESPONSE UNIVERSITE DE MONTREAL (CA) 2019-08-29 WO disclosed
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2019-08-15 US disclosed
EP-2807165-B1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS UNIV MONTREAL (CA) 2019-05-15 EP disclosed
US-9868748-B2 Thiazolopyrrolidine inhibitors of ROR- γ VITAE PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-20170334904-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS Université de Montréal (CA) 2017-11-23 US disclosed
US-20170037047-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS UNIVERSITE DE MONTREAL (CA) 2017-02-09 US disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
WO-2015067404-A1 METHOD FOR PREPARATION OF FLUORO CYANO COMPOUNDS OF THE 15TH GROUP WITH A LEWIS ACID LONZA LTD (CH) 2015-05-14 WO disclosed
WO-2015067405-A1 METHOD FOR PREPARATION OF CYANO COMPOUNDS OF THE 13TH GROUP WITH A LEWIS ACID LONZA LTD (CH) 2015-05-14 WO disclosed
US-20150011543-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS UNIVERSITE DE MONTREAL (CA) 2015-01-08 US disclosed
WO-2014147162-A1 TRICYANO(FLUOROPHENYL)BORATES LONZA LTD (CH) 2014-09-25 WO disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
EP-1749821-A1 Quaternary ammonium salts of substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-07 EP disclosed
WO-2007009697-A1 QUATERNARY AMMONIUM SALTS OF SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 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 (7 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-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R NCF1 1001/4885
US-20170037047-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS HPGDS, HCLS1, THPO NCF1 708/4885
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS CYP3A5, ADH5, AVPR2 NCF1 2264/4885
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP NCF1 2687/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 NCF1 2429/4885
US-20170334904-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS IDO1, IDO2, INMT NCF1 3799/4885
US-20150011543-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS IDO1, IDO2, INMT NCF1 3799/4885

“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.