SCHEMBL3068192

SCHEMBL3068192

CCCc1ccc(CCN)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.71
HTR2A P28223 4/20 0.67
CYP2A6 P11509 2/20 0.64
CYP1A2 P05177 1/20 0.64
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR3A P46098 1/20 0.56
BACE1 P56817 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LOXL2 Q9Y4K0 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA2 P00918 1/20 0.52
NOS3 P29474 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
Hydrochloric Acid SCHEMBL5154236 0.97 TAAR1 (0.68) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL26189798 0.87 TAAR1 (0.61) TAAR1HTR2ACYP2A6CYP1A2ALDH1A1
SCHEMBL224548 0.85 TAAR1 (0.72) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL142480 0.85 LPL (0.62) TAAR1HTR2AKDM4EALDH1A1ADRA2A
SCHEMBL6279898 0.84 HTR2A (0.61) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL3062920 0.84 HTR2A (0.83) TAAR1HTR2ACYP2A6CYP1A2KDM4E
Ethylamine SCHEMBL27859952 0.84 GFER (0.62) TAAR1HTR2ACYP2A6CYP1A2ALDH1A1
SCHEMBL5962 0.83 GFER (0.68) TAAR1HTR2AALDH1A1LOXL2TDP1
SCHEMBL396116 0.83 HRH3 (0.52) TAAR1HTR2ACYP2A6CYP1A2LOXL2
SCHEMBL4920 0.83 TAAR1 (1.00) TAAR1HTR2ACYP2A6CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF MICROMIDAS, INC. (US) 2017-09-28 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-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
US-20090104119-A1 Dendrimer Based Compositions And Methods Of Using The Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 US disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-20090088376-A1 DENDRIMER BASED COMPOSITIONS AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-04-02 US disclosed
US-20090053139-A1 Dendrimer based compositions and methods of using the same REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-02-26 US disclosed
EP-1131290-B1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
US-20070041934-A1 Dendrimer based compositions and methods of using the same REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 US disclosed
CN-1267501-C Light sensitivity resin precursor compsn. TORAY INDUSTRIES (JP) 2006-08-02 CN disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
CN-1154708-C Chemical-ray sensitive polymer composition 东丽株式会社 2004-06-23 CN disclosed
CN-1480491-A Light sensitivity resin precursor compsn. ������������ʽ���� 2004-03-10 CN disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 US disclosed
CN-1201061-A Chemical-ray sensitive polymer composition TORAY CO LTD (JP) 1998-12-09 CN disclosed
US-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed
EP-0221344-B1 SULPHONYL-PHENYL ALKYL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1990-05-23 EP disclosed
EP-0221344-A1 Sulphonyl-phenyl alkyl amines, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1987-05-13 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 (4 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-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF DDC, DDT, DAO TAAR1 833/4885HTR2A 1665/4885CYP2A6 1637/4885
US-20090104119-A1 Dendrimer Based Compositions And Methods Of Using The Same TLR9, CD63, CD47 TAAR1 1743/4885HTR2A 4606/4885CYP2A6 4862/4885
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY ALDH1A2, PDE6C, EYA2 TAAR1 3952/4885HTR2A 3014/4885CYP2A6 4363/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX TAAR1 4519/4885HTR2A 4718/4885CYP2A6 1173/4885

“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.