SCHEMBL23744679

SCHEMBL23744679

C[C@@H]1CNC[C@@H](C)N1c1ncc(C#N)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
KDM1A O60341 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
ACVR1 Q04771 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35

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
SCHEMBL26087038 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BKDM1AKDM4E
SCHEMBL23744780 0.87 HTR2A (0.40) HTR2AHTR2CHTR2BKDM1AJAK2
SCHEMBL23232139 0.80 IRAK4 (0.40) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL23744326 0.80 ROCK2 (0.41) HTR2AHTR2CHTR2BJAK2JAK1
SCHEMBL23744678 0.80 ROCK2 (0.41) HTR2AHTR2CHTR2BJAK2JAK1
SCHEMBL2224273 0.80 KDM4E (0.50) HTR2AHTR2CHTR2BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL29731417 0.75 HTR2A (0.34) HTR2AHTR2CHTR2BACVR1
SCHEMBL6855304 0.74 HTR2A (0.42) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL6855299 0.74 HTR2A (0.42) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL26089158 0.74 GPR119 (0.39) ALDH1A1CHRM5CHRM1CHRM3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100410-B1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2026-04-22 EP disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 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 (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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 HTR2A 264/4885HTR2C 235/4885HTR2B 203/4885

“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.