SCHEMBL4031583

SCHEMBL4031583

Clc1nsnc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 13/20 0.50
CYP3A4 P08684 5/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
IDO1 P14902 1/20 0.45
LRRK2 Q5S007 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
NQO2 P16083 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL9291226 0.88 CYP2A6 (0.41) CYP2A6CYP3A4ALDH1A1CYP1A2IDO1
SCHEMBL544426 0.78 KDM4E (0.47) ALDH1A1CYP1A2IDO1CHRM1ADORA2A
SCHEMBL5932027 0.78 CYP2A6 (0.50) CYP2A6CYP3A4ALDH1A1CYP1A2IDO1
SCHEMBL7157794 0.78 CYP2A6 (0.50) CYP2A6CYP3A4ALDH1A1CYP1A2IDO1
SCHEMBL5931880 0.78 CYP2A6 (0.53) CYP2A6CYP3A4ALDH1A1CYP1A2IDO1
SCHEMBL6623741 0.76 CHRM2 (0.57) CYP2A6CYP3A4ALDH1A1CYP1A2IDO1
SCHEMBL9393916 0.76 MAPT (0.42) CYP3A4ALDH1A1CYP1A2CHRM1ADORA2A
SCHEMBL7614581 0.74 CHRM2 (0.69) CYP2A6CYP3A4ALDH1A1CYP1A2IDO1
SCHEMBL7612811 0.74 CYP2A6 (0.45) CYP2A6CYP3A4ALDH1A1CYP1A2IDO1
SCHEMBL29890067 0.73 CYP2A6 (0.56) CYP2A6CYP3A4ALDH1A1CYP1A2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122070276-A Prodrugs of xanomeline, prodrugs of trospium chloride and methods of using the same 人类生物科学股份有限公司 2026-05-19 CN disclosed
WO-2026072607-A1 PROCESS FOR PREPARING 3-CHLORO-4-(PYRIDIN-3-YL)-1,2,5-THIADIAZOLE Karuna Therapeutics, Inc. (US) 2026-04-02 WO disclosed
WO-2026072607-A1 PROCESS FOR PREPARING 3-CHLORO-4-(PYRIDIN-3-YL)-1,2,5-THIADIAZOLE Karuna Therapeutics, Inc. (US) 2026-04-02 WO disclosed
EP-4705289-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF Terran Biosciences Inc. (US) 2026-03-11 EP disclosed
CN-120965678-A Preparation method of penomelin intermediate 上海法默生物科技有限公司 2025-11-18 CN disclosed
CN-120794970-A Preparation method of intermediate of penomelin 奥锐特药业股份有限公司 2025-10-17 CN disclosed
US-12269818-B2 Analogs of xanomeline TERRAN BIOSCIENCES INC. (US) 2025-04-08 US disclosed
CN-115974863-B Malate and A crystal forms of taking-up nonimeilin derivative, preparation method and application thereof 南京迈诺威医药科技有限公司 2024-12-31 CN disclosed
US-20240368149-A1 ANALOGS OF XANOMELINE TERRAN BIOSCIENCES INC. 2024-11-07 US disclosed
WO-2024226691-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF TERRAN BIOSCIENCES INC. (US) 2024-10-31 WO disclosed
US-5328924-A Thiadiazole hydropyridines as cognition activators for Alzheimer*s disease NOVO NORDISK A/S (DK) 1994-07-12 US disclosed
US-5284859-A Analgesics, Alzheimer's disease NOVO NORDISK A/S (DK) 1994-02-08 US disclosed
US-5264444-A Cognition activators NOVO NORDISK A/S (DK) 1993-11-23 US disclosed
US-5260311-A Cognition activators, analgesics for sever pain, glaucoma treatment NOVO NORDISK A/S (DK) 1993-11-09 US disclosed
EP-0544756-A1 1,2,5,6-TETRAHYDRO-1-METHYLPYRIDINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-06-09 EP disclosed
WO-1992003430-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-03-05 WO disclosed
US-5043345-A Cognition activators; alzheimer's disease NOVO NORDISK A/S (DK) 1991-08-27 US disclosed
US-5041455-A Stimulants of cognitive function in mammals NOVO NORDISK A/S (DK) 1991-08-20 US disclosed
CN-1045104-A Piperidine compounds and preparation thereof and purposes FERROSAN AS (DK) 1990-09-05 CN disclosed
EP-0384288-A2 Piperidine compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-08-29 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 (2 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-20240368149-A1 ANALOGS OF XANOMELINE HTR5A, HTR3A, HTR3B CYP2A6 693/4885CYP3A4 665/4885ALDH1A1 1582/4885
US-12269818-B2 Analogs of xanomeline HTR5A, HTR3A, HTR3B CYP2A6 693/4885CYP3A4 665/4885ALDH1A1 1582/4885

“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.