SCHEMBL24624329

SCHEMBL24624329

O[C@@H]1C[C@@H]2CN(c3cnc(Cl)cn3)C[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.37
CHRM2 P08172 1/20 0.37
PANK3 Q9H999 1/20 0.36
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
CHRNB2 P17787 4/20 0.35
CHRNA4 P43681 4/20 0.35
CNR2 P34972 1/20 0.33
GRM1 Q13255 2/20 0.33
OGA O60502 1/20 0.33
CHRNA7 P36544 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
SCHEMBL29596859 1.00 CHRM4 (0.37) CHRM4CHRM2PANK3CHRNB4CHRNA3
SCHEMBL22795652 0.89 CHRNB4 (0.38) CHRM4CHRM2PANK3CHRNB4CHRNA3
SCHEMBL12524364 0.87 CHRM4 (0.39) CHRM4CHRM2PANK3CHRNB4CHRNA3
SCHEMBL22795905 0.83 CNR2 (0.39) CHRM4CHRM2PANK3CHRNB4CHRNA3
SCHEMBL22795641 0.81 SMPD3 (0.39) CHRM4CHRM2PANK3CHRNB4CHRNA3
SCHEMBL25812286 0.78 SMPD3 (0.37) CHRM4CHRM2PANK3CHRNB4CHRNA3
SCHEMBL29597502 0.78 CHRM4 (0.39) CHRM4CHRM2PANK3CHRNB4CHRNA3
SCHEMBL24623312 0.78 CHRM4 (0.39) CHRM4CHRM2PANK3CHRNB4CHRNA3
SCHEMBL3608762 0.77 SMO (0.47) PANK3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL20070056 0.76 SMPD3 (0.44) PANK3

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-20220220128-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2022-07-14 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-20220220128-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF RET, BRAF, ROR1 CHRM4 4838/4885CHRM2 4859/4885PANK3 734/4885

“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.