SCHEMBL10029424

SCHEMBL10029424

CCCCC1C(CCCC)N(c2c(C)cc(C)cc2C)C(C)N1c1c(C)cc(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.35
CRHR1 P34998 11/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
COL1A1 P02452 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FPR3 P25089 2/20 0.31
TSPO P30536 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
NR1I2 O75469 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
SCHEMBL13512034 0.86 CRHR1 (0.34) SIRT2CRHR1MEN1KMT2AHSD17B10
SCHEMBL26574685 0.80 HRH3 (0.31)
SCHEMBL14561848 0.79 CRHR1 (0.30) CRHR1MEN1KMT2AHSD17B10NPC1
SCHEMBL12751334 0.73 ALDH1A1 (0.33)
SCHEMBL26575199 0.70
SCHEMBL13987032 0.69 CRHR1 (0.32) CRHR1MEN1KMT2AHSD17B10
SCHEMBL10029429 0.69 NPC1 (0.34) SIRT2CRHR1MEN1KMT2AHSD17B10
SCHEMBL16206237 0.66 POLB (0.34) SIRT2CRHR1NR1I2
SCHEMBL4848657 0.65
SCHEMBL27430107 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713361-B2 Hydrogenation catalyst compositions and their use for hydrogenation of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2023-08-01 US disclosed
US-11673130-B2 Catalyst system containing a metathesis catalyst and at least one phenolic compound and a process for metathesis of nitrile-butadiene rubber (NBR) using the catalyst system ARLANXEO DEUTSCHLAND GMBH (DE) 2023-06-13 US disclosed
WO-2020020630-A2 HYDROGENATION OF NITRILE RUBBER ARLANXEO DEUTSCHLAND GMBH (DE) 2020-01-30 WO disclosed
EP-3148693-B1 CYCLIC BENT ALLENE METAL COMPLEXES GOVERNING COUNCIL UNIV TORONTO (CA) 2019-07-17 EP disclosed
US-20180223005-A1 CATALYST COMPOSITIONS AND THEIR USE FOR HYDROGENATION OF NITRILE RUBBER ARLANXEO DEUTSCHLAND GMBH (DE) 2018-08-09 US disclosed
US-10011664-B2 Functionalized nitrile rubbers and the production thereof ARLANXEO DEUTSCHLAND GMBH (DE) 2018-07-03 US disclosed
US-10000584-B2 Hydrogenation of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2018-06-19 US disclosed
US-9920086-B2 Ruthenium-based complexes, their preparation and use as catalysts ARLANXEO DE GMBH (DE) 2018-03-20 US disclosed
US-9828401-B2 Ruthenium-based complex catalysts ARLANXEO DEUTSCHLAND GMBH (DE) 2017-11-28 US disclosed
US-20170327436-A1 1,3-BUTADIENE SYNTHESIS ARLANXEO DEUTSCHLAND GMBH (DE) 2017-11-16 US disclosed
US-7737233-B2 Catalyst systems and their use for metathesis reactions LANXESS DEUTSCHLAND GMBH (DE) 2010-06-15 US disclosed
US-20100093944-A1 CATALYST SYSTEMS AND THEIR USE FOR METATHESIS REACTIONS LANXESS DEUTSCHLAND GMBH (DE) 2010-04-15 US disclosed
US-20100087600-A1 Catalyst Systems and their use for Metathesis Reactions LANXESS DEUTSCHLAND GMBH (DE) 2010-04-08 US disclosed
US-20090076226-A1 CATALYSTS FOR METATHESIS REACTIONS LANXESS DEUTSCHLAND GMBH (DE) 2009-03-19 US disclosed
US-20090076227-A1 PROCESS FOR THE METATHETIC DEGRADATION OF NITRILE RUBBER LANXESS DEUTSCHLAND GMBH (DE) 2009-03-19 US disclosed
US-20090069516-A1 CATALYST SYSTEMS AND THEIR USE FOR METATHESIS REACTIONS LANXESS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-20090054597-A1 Metathesis of Nitrile Rubbers In the Presence of Transition Metal Complex Catalysts LANXESS DEUTSCHLAND GMBH (DE) 2009-02-26 US disclosed
US-7470750-B2 Method for the degradation of nitrile rubber by metathesis in the presence of ruthenium- or osmium-based catalysts LANXESS DEUTSCHLAND GMBH (DE) 2008-12-30 US disclosed
US-20080064822-A1 Process for degrading nitrile rubbers in the presence of catalysts having an increased activity ARLANXEO DEUTSCHLAND GMBH (DE) 2008-03-13 US disclosed
US-20070049700-A1 Method for the degradation of nitrile rubber by metathesis in the presence of ruthenium- or osmium-based catalysts LANXESS DEUTSCHLAND GMBH (DE) 2007-03-01 US 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 (2 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-20090076226-A1 CATALYSTS FOR METATHESIS REACTIONS MCM4, MNS1, TERT SIRT2 1811/4885CRHR1 4148/4885MEN1 201/4885
US-20170327436-A1 1,3-BUTADIENE SYNTHESIS SQLE, FDFT1, ENO1 SIRT2 1257/4885CRHR1 1880/4885MEN1 21/4885

“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.