SCHEMBL2642760

SCHEMBL2642760

NCCc1ccc(CN)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.63
TAAR1 Q96RJ0 9/20 0.62
HTR2A P28223 3/20 0.62
CYP2A6 P11509 2/20 0.62
CYP1A2 P05177 1/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
SLC6A2 P23975 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTR3A P46098 1/20 0.62
BACE1 P56817 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.60
BLM P54132 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HRH3 Q9Y5N1 1/20 0.58
ABAT P80404 1/20 0.52

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 SCHEMBL3673318 0.97 BLM (0.64) LOXL2TAAR1HTR2ACYP2A6CYP1A2
SCHEMBL224548 0.90 TAAR1 (0.72) LOXL2TAAR1HTR2ACYP2A6CYP1A2
Hydrochloric Acid SCHEMBL3668004 0.87 BLM (0.74) LOXL2TAAR1HTR2ACYP2A6CYP1A2
Hydrochloric Acid SCHEMBL3168355 0.87 BLM (0.74) LOXL2TAAR1HTR2ACYP2A6CYP1A2
Iodide SCHEMBL29101247 0.87 TAAR1 (0.68) LOXL2TAAR1HTR2ACYP2A6CYP1A2
Phenethylamine SCHEMBL9084593 0.86 TAAR1 (0.84) LOXL2TAAR1HTR2ACYP2A6CYP1A2
SCHEMBL27238704 0.83 HRH3 (0.79) LOXL2TAAR1HRH3ABAT
SCHEMBL15828 0.83 HRH3 (0.79) LOXL2TAAR1HRH3ABAT
SCHEMBL6314062 0.82 MAOA (0.54) LOXL2TAAR1HTR2ACYP2A6CYP1A2
SCHEMBL143553 0.81 GFER (0.77) LOXL2TAAR1HTR2ACYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1265033-A Certain diarylimidaozle derivatives, new class of NPY speific ligands NEUROGEN CORP (US) 2000-08-30 CN claimed
CN-117580889-A Curing agent for epoxy resins SIKA技术股份公司 2024-02-20 CN disclosed
WO-2023114125-A1 DETECTION DEVICE AND METHODS OF USE THEREOF AMULET, INC. (US) 2023-06-22 WO disclosed
US-20200332193-A1 LIQUID CRYSTAL ELEMENT USED FOR PHASE CONTROL OF ELECTROMAGNETIC WAVE SIGNAL JNC CORPORATION (JP) 2020-10-22 US disclosed
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-9611273-B2 Trioxane thioacetal monomers and dimers and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-04-04 US disclosed
EP-2943483-B1 BENZYLAMINE DERIVATIVES KALVISTA PHARMACEUTICALS LTD (GB) 2017-03-01 EP disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
CN-101128470-A Novel compounds ASTRAZENECA AB (SE) 2008-02-20 CN disclosed
CN-101119980-A Novel benzothiazole carboxamides ASTRAZENECA AB (SE) 2008-02-06 CN disclosed
WO-2007150046-A2 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC (US) 2007-12-27 WO disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
US-6890930-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US disclosed
CN-1346350-A Compounds that inhibit VLA-4 mediated leukocyte adhesion ELAN PHARM INC (US) 2002-04-24 CN disclosed
CN-1280561-A Amidocarboxylic acid derivatives SANKYO CO (JP) 2001-01-17 CN disclosed
CN-1265033-A Certain diarylimidaozle derivatives, new class of NPY speific ligands NEUROGEN CORP (US) 2000-08-30 CN 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R LOXL2 3170/4885TAAR1 141/4885HTR2A 56/4885
US-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF DDC, DDT, DAO LOXL2 2299/4885TAAR1 833/4885HTR2A 1665/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885TAAR1 4223/4885HTR2A 2997/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 LOXL2 2252/4885TAAR1 4214/4885HTR2A 3031/4885

“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.