SCHEMBL4587380

SCHEMBL4587380

COCc1ccccc1CC(C)N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
SLC6A2 P23975 3/20 0.47
TAAR1 Q96RJ0 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
MAOA P21397 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HTR2A P28223 3/20 0.44
HTR1A P08908 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
ADRB1 P08588 1/20 0.43
ADRA2A P08913 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL2857779 0.85 SLC6A2 (0.61) KMT2ASLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL648491 0.80 IDO1 (0.44) KMT2ATAAR1
SCHEMBL3150270 0.79 PNMT (0.44) TAAR1
SCHEMBL27787183 0.79 SLC6A2 (0.54) KMT2ASLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL3458915 0.77 SLC6A2 (0.52) KMT2ASLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL162317 0.77 SLC6A2 (0.52) KMT2ASLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL27754455 0.77 SLC6A2 (0.52) KMT2ASLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL14655700 0.76 KMT2A (0.64) KMT2ATAAR1HTR2A
SCHEMBL30249073 0.76 KMT2A (0.64) KMT2ATAAR1HTR2A
SCHEMBL4606173 0.76 CYP2D6 (0.38) KMT2ASLC6A2TAAR1SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4014051-A1 HOMOGENEOUS ENZYME IMMUNOASSAY FOR KERATINIZED STRUCTURES Psychemedics Corporation (US) 2022-06-22 EP disclosed
CN-114544581-A Law enforcement on-site drug rapid detection system and drug detector thereof 深圳市银翔科技有限公司 2022-05-27 CN disclosed
US-11261164-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2022-03-01 US disclosed
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
WO-2021030729-A1 HOMOGENEOUS ENZYME IMMUNOASSAY FOR KERATINIZED STRUCTURES PSYCHEMEDICS CORPORATION (US) 2021-02-18 WO disclosed
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-11-12 US disclosed
US-10584103-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-10 US disclosed
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford Burnham Prebys Medical Discovery Institute 2019-01-24 US disclosed
US-10118902-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2018-11-06 US disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 Sanford Burnham Prebys Medical Discovery Institute 2017-08-24 US disclosed
EP-3160961-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2017-05-03 EP disclosed
WO-2015200534-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-30 WO disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
EP-2938608-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2015-11-04 EP disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 WO disclosed
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 US disclosed
EP-1784643-A4 HOMOGENEOUS ENZYME IMMUNOASSAY FOR ORAL FLUID LIN ZHI INTERNATIONAL INC (US) 2008-10-08 EP disclosed
EP-1784643-A2 HOMOGENEOUS ENZYME IMMUNOASSAY FOR ORAL FLUID Lin-Zhi International, Inc. (US) 2007-05-16 EP disclosed
WO-2006026601-A2 HOMOGENEOUS ENZYME IMMUNOASSAY FOR ORAL FLUID LIN-ZHI INTERNATIONAL, INC. (US) 2006-03-09 WO 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 (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-10584103-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 KMT2A 4362/4885SLC6A2 322/4885TAAR1 46/4885
US-11261164-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 KMT2A 4362/4885SLC6A2 322/4885TAAR1 46/4885
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 NTSR1, NTSR2, VIPR1 KMT2A 4362/4885SLC6A2 322/4885TAAR1 46/4885
US-10118902-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 KMT2A 4362/4885SLC6A2 322/4885TAAR1 46/4885
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 KMT2A 2652/4885SLC6A2 4705/4885TAAR1 3059/4885
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 KMT2A 4362/4885SLC6A2 322/4885TAAR1 46/4885
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 KMT2A 4362/4885SLC6A2 322/4885TAAR1 46/4885
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 KMT2A 4362/4885SLC6A2 322/4885TAAR1 46/4885

“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.