SCHEMBL23744795

SCHEMBL23744795

CS(=O)(=O)c1ccc(CN2CCC(O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.54
GPR119 Q8TDV5 2/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
DRD2 P14416 1/20 0.51
CCR2 P41597 5/20 0.49
NPC1 O15118 1/20 0.49
JAK2 O60674 2/20 0.48
JAK3 P52333 2/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
OPRK1 P41145 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL14375228 0.86 HRH3 (0.65) KCNH2GPR119LMNADRD2CCR2
SCHEMBL17988147 0.85 KCNH2 (0.52) KCNH2GPR119LMNADRD2CCR2
SCHEMBL17967843 0.84 DRD2 (0.51) KCNH2GPR119LMNADRD2CCR2
SCHEMBL17988175 0.83 KCNH2 (0.51) KCNH2GPR119LMNADRD2CCR2
SCHEMBL17988003 0.82 KCNH2 (0.50) KCNH2GPR119LMNADRD2CCR2
SCHEMBL13602644 0.82 MGAT2 (0.59) KCNH2GPR119LMNADRD2CCR2
SCHEMBL5744277 0.81 NPC1 (0.59) ALDH1A1RAB9ADRD2NPC1
SCHEMBL17987980 0.81 KCNH2 (0.52) KCNH2GPR119LMNADRD2CCR2
SCHEMBL21026031 0.81 KCNH2 (0.49) KCNH2GPR119LMNADRD2CCR2
SCHEMBL8236801 0.80 HRH3 (0.64) ALDH1A1CYP2D6LMNAKDM4ECCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNH2 302/4885GPR119 188/4885ALDH1A1 1378/4885

“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.