SCHEMBL23992182

SCHEMBL23992182

Cc1cc(N2CCC(C(=O)NCCO)CC2)cc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 15/20 0.52
▸ EPHX2 P34913 3/20 0.51
▸ CHRM2 P08172 2/20 0.49
▸ CHRM1 P11229 1/20 0.46

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
SCHEMBL21434044 0.86 EPHX2 (0.53) CHRM4EPHX2CHRM2
SCHEMBL21433969 0.80 CHRM4 (0.51) CHRM4EPHX2CHRM2CHRM1
SCHEMBL21433966 0.75 CHRM2 (0.49) CHRM4EPHX2CHRM2CHRM1
SCHEMBL21434009 0.75 CHRM2 (0.46) CHRM4EPHX2CHRM2CHRM1
SCHEMBL21433995 0.74 MALT1 (0.47) CHRM4EPHX2CHRM2CHRM1
SCHEMBL23992150 0.72 KIT (0.39) —
SCHEMBL21434094 0.71 CHRM2 (0.49) CHRM4EPHX2CHRM2CHRM1
SCHEMBL21433994 0.70 HPGDS (0.43) CHRM1
SCHEMBL21434050 0.70 SMPD3 (0.47) EPHX2
SCHEMBL20556164 0.69 CHRM4 (0.72) CHRM4CHRM2CHRM1

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-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — 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-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CHRM4 369/4885EPHX2 2087/4885CHRM2 699/4885

“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.

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