SCHEMBL3400989

SCHEMBL3400989

CCc1ccccc1CNC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.50
SLC6A2 P23975 6/20 0.50
SLC6A3 Q01959 5/20 0.50
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
LTA4H P09960 1/20 0.46
HTR2A P28223 3/20 0.43
IFNAR1 P17181 1/20 0.43
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL8016874 0.89 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3KDM4ECYP3A4
SCHEMBL31265560 0.89 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3KDM4ECYP3A4
Water SCHEMBL5700740 0.84 GABRA1 (0.55) MAPTGABRA1GABRB2ALDH1A1
SCHEMBL906143 0.82 TSHR (0.52) KDM4EGABRA1GABRB2ALDH1A1PKM
SCHEMBL9512782 0.81 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KDM4ECYP3A4
SCHEMBL25425763 0.81 GABRA1 (0.58) MAPTGABRA1GABRB2ALDH1A1
SCHEMBL29390847 0.81 GABRA1 (0.58) MAPTGABRA1GABRB2ALDH1A1
SCHEMBL36294 0.81 GABRA1 (0.58) MAPTGABRA1GABRB2ALDH1A1
SCHEMBL23898743 0.80 GABRA1 (0.42) MAPTGABRA1GABRB2ALDH1A1
SCHEMBL21254118 0.79 GABRA1 (0.43) SLC6A4SLC6A2SLC6A3KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882000-B1 CATALYST COMPOSITION FOR OLEFIN POLYMERIZATION NOVOLEN TECH HOLDINGS CV (NL) 2010-03-31 EP claimed
WO-2023125737-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-06 WO disclosed
US-20220168383-A1 NEUROTENSINERGIC AGONISTS AND METHODS OF USING SAME PREVENTING OR TREATING PAIN SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2022-06-02 US disclosed
WO-2022040600-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2022-02-24 WO disclosed
EP-3086815-B1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC (CA) 2022-02-09 EP disclosed
WO-2021197283-A1 SYNTHETIC PEPTIDE AMIDE COMPOUND AND ITS USE IN THE FIELD OF MEDICINE CHENGDU SINTANOVO BIOTECHNOLOGY CO., LTD. (CN) 2021-10-07 WO disclosed
EP-3558973-B1 PYRIDINE DERIVATIVES AS IMMUNOMODULATORS INCYTE CORP (US) 2021-09-15 EP disclosed
WO-2021072203-A1 TGFBETAR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed
EP-3558989-B1 TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS IMMUNOMODULATORS INCYTE CORP (US) 2021-04-14 EP disclosed
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 US disclosed
CN-101193895-A Method for producing tricyclic ketone YAKULT HONSHA KK (JP) 2008-06-04 CN disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP disclosed
US-20070117154-A1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2007-05-24 US disclosed
EP-1250363-B1 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-08-30 EP disclosed
EP-1615698-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2006-01-18 EP disclosed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed
EP-1280600-B1 SUPPORTED CATALYST SYSTEM COMPRISING A METALLOCENE, A LEWIS-BASE AND AN ORGANODEMENTAL COMPOUND OF MAIN GROUP III, AND ITS USE BASELL POLYOLEFINE GMBH (DE) 2004-08-11 EP disclosed
EP-1290002-B1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-01-21 EP disclosed
EP-0362001-A1 N-cycloalkyl benzylamines alpha,alpha disubstituted, the process for their preparation, their use as drugs and their synthesis intermediates JOUVEINAL S.A. (FR) 1990-04-04 EP disclosed
US-4604472-A ANTICHOLESTEROL AGENTS SANKYO COMPANY LIMITED (JP) 1986-08-05 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 (3 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-20070117154-A1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents F2, BCAT1, DAO SLC6A4 4470/4885SLC6A2 4673/4885SLC6A3 4822/4885
US-20220168383-A1 NEUROTENSINERGIC AGONISTS AND METHODS OF USING SAME PREVENTING OR TREATING PAIN VIP, NTSR2, VIPR2 SLC6A4 272/4885SLC6A2 220/4885SLC6A3 567/4885
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 SLC6A4 3049/4885SLC6A2 4399/4885SLC6A3 2735/4885

“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.