SCHEMBL376960

SCHEMBL376960

[C-]#[N+]Cc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
ACHE P22303 2/20 0.41
TSHR P16473 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CHRM2 P08172 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 2/20 0.38
CYP2A13 Q16696 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CTBP2 P56545 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL29957198 1.00 TAAR1 (0.46) TAAR1ACHETSHRCYP11B1CYP11B2
SCHEMBL29957524 0.82 ESR1 (0.41) TAAR1ACHETSHRCYP11B1CYP11B2
SCHEMBL11366815 0.82 HSPA5 (0.33)
SCHEMBL29952113 0.77 TAAR1 (0.54) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL854969 0.76 GABRA1 (0.41) ALDH1A1MAPT
SCHEMBL855046 0.74 CYP1A2 (0.52) TSHRALDH1A1MAPT
SCHEMBL10175168 0.73 TAAR1 (0.48) TAAR1TSHRKMT2ACYP2A13LMNA
SCHEMBL29953337 0.73 TAAR1 (0.50) TAAR1KMT2AHPGDLMNAALDH1A1
SCHEMBL12245650 0.71 TAAR1 (0.48) TAAR1KMT2ACYP2A13HPGDLMNA
SCHEMBL6242080 0.71 IDO1 (0.50) TAAR1TSHRCHRM2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408802-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME The Governing Council of the University of Toronto (CA) 2012-01-25 EP claimed
WO-2010105363-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME YUDIN ANDREI (CA) 2010-09-23 WO claimed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
CN-111699174-A Spiro compound used as indoleamine-2, 3-dioxygenase inhibitor 中国科学院上海有机化学研究所 2020-09-22 CN disclosed
EP-3221335-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES Encycle Therapeutics (CA) 2017-09-27 EP disclosed
EP-2408802-B1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME GOVERNING COUNCIL UNIV TORONTO (CA) 2017-05-03 EP disclosed
WO-2016079682-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES ENCYCLE THERAPEUTICS (CA) 2016-05-26 WO disclosed
US-8852757-B2 Organic electroluminescence element, lighting device and display device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-10-07 US disclosed
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-2539320-A1 A PROCESS FOR THE PREPARATION OF SUBSTITUTED PROLYL PEPTIDES AND SIMILAR PEPTIDOMIMETICS Vereniging Voor Christelijk Hoger Onderwijs, Wetenschappelijk Onderzoek En Patiëntenzorg (NL) 2013-01-02 EP disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2000075203-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075202-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075204-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
US-5736523-A ADMINISTERING TO THE MAMMAL SUFFERING FROM CANCER BIOCHEM PHARMA INC. (CA) 1998-04-07 US disclosed
US-5606037-A Processes antineoplastic heteronaphthoquinones BIOCHEM PHARMA INC. (CA) 1997-02-25 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 (1 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-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS TAAR1 4726/4885ACHE 4824/4885TSHR 4359/4885

“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.