SCHEMBL23744665

SCHEMBL23744665

C[C@@H]1CN(c2ncc(C#N)cn2)[C@H](C)CN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PIM1 P11309 1/20 0.37
HDAC1 Q13547 1/20 0.35
CHRNB2 P17787 5/20 0.34
CHRNA4 P43681 5/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
GPR119 Q8TDV5 2/20 0.33
KDM1A O60341 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRM4 P08173 4/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL23744666 1.00 ROCK2 (0.39) ROCK2ROCK1PIM1HDAC1CHRNB2
SCHEMBL23744674 1.00 ROCK2 (0.39) ROCK2ROCK1PIM1HDAC1CHRNB2
SCHEMBL26087094 1.00 ROCK2 (0.39) ROCK2ROCK1PIM1HDAC1CHRNB2
SCHEMBL23744494 0.83 CHRM4 (0.32) CHRNB2CHRNA4JAK2JAK1TYK2
SCHEMBL6859229 0.82 HDAC1 (0.47) HDAC1JAK2JAK1TYK2JAK3
SCHEMBL6859232 0.82 HDAC1 (0.47) HDAC1JAK2JAK1TYK2JAK3
SCHEMBL3599737 0.82 HDAC1 (0.47) HDAC1JAK2JAK1TYK2JAK3
SCHEMBL24467701 0.79 ROCK2 (0.41) ROCK2ROCK1PIM1HDAC1
SCHEMBL23744678 0.78 ROCK2 (0.41) ROCK2ROCK1JAK2JAK1TYK2
SCHEMBL23744326 0.78 ROCK2 (0.41) ROCK2ROCK1JAK2JAK1TYK2

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 ROCK2 2599/4885ROCK1 2021/4885PIM1 4038/4885

“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.