SCHEMBL30345740

SCHEMBL30345740

C[C@@H]1CN(c2cnc3cc(C(F)(F)F)ccc3n2)[C@@H](C)CN1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
IRAK4 Q9NWZ3 3/20 0.37
HDAC1 Q13547 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
SCN9A Q15858 2/20 0.35
BRAF P15056 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
DHFR P00374 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
MET P08581 1/20 0.33
PIM1 P11309 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
SCHEMBL23744803 1.00 MCHR1 (0.42) MCHR1IRAK4HDAC1USP30ROCK2
SCHEMBL30345489 0.85 MCHR1 (0.40) MCHR1IRAK4HDAC1ROCK2ROCK1
SCHEMBL23744102 0.85 MCHR1 (0.40) MCHR1IRAK4HDAC1ROCK2ROCK1
SCHEMBL10219399 0.82 HTR2C (0.42) HRH3HTR2AHTR2CHTR2BPIM1
SCHEMBL23744103 0.81 MCHR1 (0.42) MCHR1HDAC1ROCK2ROCK1KDM4E
SCHEMBL23744804 0.81 SCN9A (0.42) MCHR1USP30SCN9AHRH3MET
SCHEMBL30345518 0.81 SCN9A (0.42) MCHR1USP30SCN9AHRH3MET
SCHEMBL13666118 0.80 HCAR2 (0.46) HDAC1ROCK2ROCK1KDM4EPIM1
SCHEMBL1470530 0.79 HDAC1 (0.47) IRAK4HDAC1KDM4E
SCHEMBL2178404 0.79 HDAC1 (0.47) IRAK4HDAC1KDM4E

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 MCHR1 134/4885IRAK4 454/4885HDAC1 1545/4885

“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.