SCHEMBL12233003

SCHEMBL12233003

C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.47
▸ CHRM1 P11229 2/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ CHRM4 P08173 1/20 0.40

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
SCHEMBL12232282 0.88 MMP2 (0.42) —
SCHEMBL12232703 0.86 CHRM2 (0.45) CHRM2CHRM1CHRM5CHRM3
SCHEMBL12232520 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL12232500 0.86 ADAMTS5 (0.44) —
SCHEMBL12508554 0.85 GRIN2D (0.49) —
SCHEMBL12232515 0.85 CHRM2 (0.44) CHRM2CHRM1CHRM5CHRM3
SCHEMBL12233005 0.80 MAPT (0.54) —
SCHEMBL12232286 0.79 CHRNA7 (0.42) —
SCHEMBL12232681 0.79 MMP2 (0.42) —
SCHEMBL12232802 0.78 MAPT (0.42) CHRM2CHRM1CHRM5CHRM3

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-20110251212-A1 PIPERAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2011-10-13 — — 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-20110251212-A1 PIPERAZINE DERIVATIVES GRIN2C, NR2C2, GRIN3A CHRM2 108/4885CHRM1 75/4885CHRM5 68/4885

“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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