SCHEMBL30345484

SCHEMBL30345484

O=C(OC1CC2(C1)CN(Cc1ccccc1)C2)N1C[C@H]2C[C@@H]1CN2c1cnc(C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.42
CHRM1 P11229 3/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
HDAC1 Q13547 5/20 0.39
USP2 O75604 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM4 P08173 3/20 0.36
PARP1 P09874 1/20 0.35
CCR2 P41597 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK8 P45983 1/20 0.34
ENPP2 Q13822 1/20 0.33

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
SCHEMBL26429301 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM5CHRM3HDAC1
SCHEMBL26429293 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM5CHRM3HDAC1
SCHEMBL30345685 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM5CHRM3HDAC1
SCHEMBL26431387 0.88 CHRM2 (0.51) CHRM2CHRM1CHRM5CHRM3HDAC1
SCHEMBL23744264 0.88 CHRM2 (0.51) CHRM2CHRM1CHRM5CHRM3HDAC1
SCHEMBL26429291 0.85 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HDAC1
SCHEMBL26429443 0.85 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HDAC1
SCHEMBL30345578 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM5CHRM3HDAC1
SCHEMBL30345510 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM5CHRM3HDAC1
SCHEMBL26090288 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM5CHRM3HDAC1

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 1 patent. 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

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 CHRM2 2/4885CHRM1 5/4885CHRM5 3/4885

“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.