SCHEMBL4698080

SCHEMBL4698080

COC(=O)c1ncccc1-c1ccc(CN2CCN[C@@H](C)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLNR O43193 18/20 0.63
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 1/20 0.51
GHSR Q92847 1/20 0.51
GRM2 Q14416 2/20 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
SCHEMBL4698581 0.89 MLNR (0.63) MLNRCYP3A4CYP2D6GHSR
SCHEMBL5131916 0.89 MLNR (0.63) MLNRCYP3A4CYP2D6GHSR
SCHEMBL20333527 0.78 MLNR (0.55) MLNRCYP3A4
SCHEMBL5123409 0.78 MLNR (1.00) MLNRCYP3A4CYP2D6GHSR
SCHEMBL5123512 0.77 MLNR (0.46) MLNRCYP3A4CYP2D6GHSR
SCHEMBL5121342 0.77 MLNR (0.64) MLNRCYP3A4CYP2D6GHSR
SCHEMBL4750944 0.76 MLNR (0.86) MLNRCYP3A4CYP2D6GHSR
SCHEMBL4698229 0.74 MLNR (0.65) MLNRCYP3A4CYP2D6GHSR
SCHEMBL5126864 0.74 MLNR (0.65) MLNRCYP3A4CYP2D6GHSR
SCHEMBL4698083 0.73 MLNR (0.48) MLNRCYP3A4GRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 US disclosed
EP-1902022-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2008-03-26 EP disclosed
WO-2007007018-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-18 WO 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-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GPR68, GPR55, GPR88 MLNR 207/4885CYP3A4 784/4885CYP2D6 1061/4885

“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.