SCHEMBL43296

SCHEMBL43296

CN1CCC(N2CC[N]CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
L3MBTL3 Q96JM7 2/20 0.38
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.35
NCF1 P14598 1/20 0.34
PIM1 P11309 1/20 0.34
CHRM2 P08172 1/20 0.30
CHRM3 P20309 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAD52 P43351 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
SCHEMBL7468501 0.92 ALDH1A1 (0.42) ALDH1A1L3MBTL1L3MBTL3GAASMN1; SMN2
SCHEMBL4537049 0.86 ALDH1A1 (0.33) ALDH1A1GAASMN1; SMN2ALOX15NCF1
SCHEMBL188355 0.82
SCHEMBL26042916 0.82 L3MBTL3 (0.47) ALDH1A1L3MBTL1L3MBTL3GAASMN1; SMN2
SCHEMBL283382 0.81 PIM1 (0.37) ALDH1A1L3MBTL1L3MBTL3NCF1PIM1
SCHEMBL3436969 0.79 L3MBTL1 (0.46) ALDH1A1L3MBTL1L3MBTL3GAASMN1; SMN2
SCHEMBL12772837 0.79 L3MBTL3 (0.46) ALDH1A1L3MBTL1L3MBTL3GAASMN1; SMN2
SCHEMBL2254744 0.78
SCHEMBL23269640 0.77 L3MBTL1 (0.44) ALDH1A1L3MBTL1L3MBTL3GAASMN1; SMN2
SCHEMBL107233 0.77 L3MBTL3 (0.53) ALDH1A1L3MBTL1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP claimed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP claimed
US-20150197492-A1 NOVEL INDENO[1,2-c]QUINOLIN-11-ONE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF NATIONAL DEFENSE MEDICAL CENTER (TW) 2015-07-16 US claimed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US claimed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US claimed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US claimed
EP-2058302-B1 METHOD FOR PRODUCING PHENOXYPYRIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2013-04-17 EP claimed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP claimed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US claimed
JP-2011526616-A 2011-10-13 JP claimed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 US claimed
EP-2310010-A2 CHEMICAL COMPOUNDS 251 AstraZeneca AB (SE) 2011-04-20 EP claimed
US-7790885-B2 Process for preparing phenoxypyridine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-07 US claimed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 WO claimed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US claimed
EP-2058302-A1 METHOD FOR PRODUCING PHENOXYPYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-05-13 EP claimed
US-20080214815-A1 Process for preparing phenoxypyridine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-04 US claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US claimed
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 WO 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 (8 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 ALDH1A1 498/4885L3MBTL1 1902/4885L3MBTL3 1627/4885
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885L3MBTL1 1714/4885L3MBTL3 1973/4885
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 ALDH1A1 508/4885L3MBTL1 3098/4885L3MBTL3 3577/4885
US-20150197492-A1 NOVEL INDENO[1,2-c]QUINOLIN-11-ONE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF TOP1, TOP2A, TOP2B ALDH1A1 811/4885L3MBTL1 4270/4885L3MBTL3 4404/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885L3MBTL1 1714/4885L3MBTL3 1973/4885
US-20080214815-A1 Process for preparing phenoxypyridine derivatives FIP1L1, SKP1, TET2 ALDH1A1 2045/4885L3MBTL1 4834/4885L3MBTL3 4792/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 ALDH1A1 683/4885L3MBTL1 2095/4885L3MBTL3 1762/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 ALDH1A1 3073/4885L3MBTL1 430/4885L3MBTL3 1842/4885

“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.