SCHEMBL1582708

SCHEMBL1582708

C1CC[N]C(N2CCOCC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CYP2A13 Q16696 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL948434 0.98 ALDH1A1 (0.32) MAPTNPSR1KDM4EMCOLN3SMN1; SMN2
SCHEMBL170248 0.92 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1CYP2A13HPGD
SCHEMBL10891279 0.83 CYP2D6 (0.32) KMT2A
SCHEMBL2229452 0.83 CYP2D6 (0.32) KMT2A
SCHEMBL3658217 0.83 CYP2D6 (0.32) KMT2A
SCHEMBL286072 0.83 CYP2D6 (0.32) KMT2A
SCHEMBL2569149 0.83 CYP2D6 (0.32) KMT2A
SCHEMBL4712511 0.83 CYP2D6 (0.32) KMT2A
SCHEMBL6050828 0.83 CYP2D6 (0.32) KMT2A
SCHEMBL285243 0.83

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4815429-B2 2011-11-16 JP claimed
EP-1723203-B1 VIOLET COLORANT FOR COLOUR FILTERS, INKS FOR INK-JET, ELECTROPHOTOGRAPHIC TONERS AND DEVELOPERS AND E-INKS CLARIANT PRODUKTE DEUTSCHLAND (DE) 2011-04-20 EP claimed
EP-1723203-A1 VIOLET COLORANT FOR COLOUR FILTERS, INKS FOR INK-JET, ELECTROPHOTOGRAPHIC TONERS AND DEVELOPERS AND E-INKS Clariant Produkte (Deutschland) GmbH (DE) 2006-11-22 EP claimed
WO-2005085367-A1 VIOLET COLORANT FOR COLOUR FILTERS, INKS FOR INK-JET, ELECTROPHOTOGRAPHIC TONERS AND DEVELOPERS AND E-INKS CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2005-09-15 WO claimed
EP-1163239-A1 MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP claimed
WO-2000055154-A1 MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 WO claimed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 US disclosed
EP-1718649-B1 IMIDAZO 1,2-C PYRIMIDINYLACETIC ACID DERIVATIVES ACTIMIS PHARMACEUTICALS INC (US) 2009-06-10 EP disclosed
US-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 US disclosed
EP-1163239-A1 MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055154-A1 MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 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 (1 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-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes PTGIS, PTGIR, FPR1 MAPT 4189/4885NPSR1 1184/4885KDM4E 1358/4885

“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.