SCHEMBL4752136

SCHEMBL4752136

O=Cc1ccc(-n2ccnc2C(=O)N2CCC(Nc3cccc(F)c3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLNR O43193 10/20 0.67
CYP3A4 P08684 4/20 0.67
CYP2D6 P10635 2/20 0.67
CYP1A2 P05177 1/20 0.67
GHSR Q92847 1/20 0.67
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 1/20 0.40
HCRTR1 O43613 1/20 0.40
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 1/20 0.39
GFER P55789 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL5127680 0.80 MLNR (1.00) MLNRCYP3A4CYP2D6CYP1A2GHSR
SCHEMBL4787915 0.80 MLNR (1.00) MLNRCYP3A4CYP2D6CYP1A2GHSR
SCHEMBL5120503 0.77 MLNR (0.82) MLNRCYP3A4CYP2D6CYP1A2GHSR
SCHEMBL1704224 0.73 MLNR (0.67) MLNRCYP3A4CYP2D6CYP1A2GHSR
SCHEMBL5128342 0.72 MLNR (0.50) MLNRCYP3A4CYP2D6CYP1A2GHSR
SCHEMBL7297189 0.71 EPHX1 (0.57) CYP3A4CYP1A2KDM4EEPHX2HCRTR1
SCHEMBL4131412 0.71 KDM4E (0.60) MLNRCYP3A4CYP2D6KDM4EEPHX2
SCHEMBL5127355 0.69 MLNR (0.83) MLNRCYP3A4CYP2D6CYP1A2GHSR
SCHEMBL4696836 0.67 MLNR (0.65) MLNRCYP3A4CYP2D6GHSR
SCHEMBL14633046 0.66 MLNR (0.74) MLNRCYP3A4CYP2D6CYP1A2GHSR

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.