SCHEMBL2903634

SCHEMBL2903634

CCCCOc1ccc(CCNC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HTR1B P28222 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TAAR1 Q96RJ0 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
S1PR2 O95136 2/20 0.50
S1PR1 P21453 2/20 0.50
S1PR3 Q99500 2/20 0.50
LPAR2 Q9HBW0 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
PDE4A P27815 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL2910101 0.93 ACACB (0.56) L3MBTL1NPC1RAB9AHTR1BALDH1A1
SCHEMBL20172578 0.89 HTR1B (0.55) L3MBTL1MEN1KMT2AHTR1BALDH1A1
SCHEMBL12377087 0.86 L3MBTL1 (0.57) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL10895841 0.85 ALDH1A1 (0.64) L3MBTL1MEN1KMT2ANPC1HTR1B
SCHEMBL2910125 0.85 NQO1 (0.56) NPC1RAB9ATAAR1SMN1; SMN2LMNA
SCHEMBL10898862 0.84 L3MBTL1 (0.64) L3MBTL1MEN1KMT2ANPC1HTR1B
SCHEMBL9439492 0.84 TAAR1 (0.50) L3MBTL1MEN1KMT2AHTR1BALDH1A1
SCHEMBL25806414 0.84 TAAR1 (0.42) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL9380548 0.84 SMN1; SMN2 (0.57) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL8986177 0.84 LTA4H (0.56) L3MBTL1HTR1BTAAR1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2017-02-09 US disclosed
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-21 US disclosed
US-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS (US) 2014-10-16 US disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-7985879-B2 reacting a 5-hydroxy-4-methoxy benzoic acid derivative with N-methyl-N-(2-[4-hydroxyphenyl]ethyl)amine, to form N-methyl-N-(2-[4-hydroxyphenyl]ethyl)-5-hydroxy-4-methoxy benzene carboxamide, which is useful as an intermediate in the synthesis of lycoremine SCINOPHARM TAIWAN LTD. (TW) 2011-07-26 US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 US disclosed
EP-2220100-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälisch-Technische Hochschule Aachen (DE) 2010-08-25 EP disclosed
WO-2009077462-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2009-06-25 WO disclosed
US-20080255347-A1 Process for making galantamine SCINOPHARM TAIWAN LTD. 2008-10-16 US disclosed
EP-0065229-B1 BENZAZEPINES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS PHARMACEUTICAL PREPARATIONS Dr. Karl Thomae GmbH (DE) 1985-08-07 EP disclosed
US-4490369-A HYPOTENSIVE, BRRADYCARDIAL DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-25 US disclosed
EP-0065229-A1 Benzazepines, process for their preparation and their application as pharmaceutical preparations Dr. Karl Thomae GmbH (DE) 1982-11-24 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 (5 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-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS API5, BIRC5, BAD L3MBTL1 400/4885MEN1 1469/4885KMT2A 4003/4885
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof MAOB, MAOA, COMT L3MBTL1 3602/4885MEN1 2296/4885KMT2A 1060/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX L3MBTL1 2473/4885MEN1 836/4885KMT2A 2121/4885
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE XIAP, BIRC3, BIRC2 L3MBTL1 259/4885MEN1 2578/4885KMT2A 3179/4885
US-20080255347-A1 Process for making galantamine GALR2, GALE, GALR1 L3MBTL1 3228/4885MEN1 3797/4885KMT2A 395/4885

“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.