SCHEMBL4698083

SCHEMBL4698083

Cc1ccnc(C(=O)O)c1-c1ccc(CN2CCN[C@@H](C)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MLNR O43193 18/20 0.48
GRM2 Q14416 2/20 0.44
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5131920 0.88 MLNR (0.47) MLNRCYP3A4
Hydrochloric Acid SCHEMBL21816564 0.75 MLNR (0.57) MLNRCYP3A4
Hydrochloric Acid SCHEMBL21816563 0.75 MLNR (0.57) MLNRCYP3A4
SCHEMBL4698080 0.73 MLNR (0.63) MLNRGRM2CYP3A4
SCHEMBL5126865 0.73 MLNR (0.50) MLNRCYP3A4
SCHEMBL27718923 0.72 MLNR (0.57) MLNRGRM2CYP3A4
SCHEMBL13330940 0.71 CXCR4 (0.53) MLNRCYP3A4
SCHEMBL15651766 0.70 LMNA (0.51) MLNRCYP3A4
SCHEMBL13595852 0.70 HPGD (0.48) MLNRCYP3A4
SCHEMBL1471041 0.70 SIGMAR1 (0.58) MLNRCYP3A4

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 207/4885GRM2 209/4885CYP3A4 784/4885

“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.