SCHEMBL12232256

SCHEMBL12232256

C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CC(=O)Nc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45

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
SCHEMBL12232649 0.94 ENPP2 (0.45) ENPP2
SCHEMBL12232779 0.90 ENPP2 (0.45) ENPP2
SCHEMBL12232970 0.88 ENPP2 (0.44) ENPP2
SCHEMBL12232325 0.87 CHRM2 (0.39) ENPP2
SCHEMBL12508282 0.86 ENPP2 (0.57) ENPP2
SCHEMBL12232315 0.85 CHRM2 (0.41)
SCHEMBL12232477 0.85 ENPP2 (0.48) ENPP2
SCHEMBL12232515 0.85 CHRM2 (0.44)
SCHEMBL12508554 0.85 GRIN2D (0.49)
SCHEMBL12232254 0.85 ENPP2 (0.48) ENPP2

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 ENPP2 2575/4885

“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.