SCHEMBL5127680

SCHEMBL5127680

C[C@@H]1CN(Cc2ccc(-n3ccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@H](C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLNR O43193 20/20 1.00
CYP3A4 P08684 9/20 1.00
CYP2D6 P10635 3/20 1.00
GHSR Q92847 2/20 1.00
CYP1A2 P05177 1/20 1.00
KCNH2 Q12809 1/20 0.57

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
SCHEMBL4787915 1.00 MLNR (1.00) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL5127355 0.91 MLNR (0.83) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL5120503 0.90 MLNR (0.82) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL5127685 0.86 MLNR (0.75) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL4789508 0.81 MLNR (1.00) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL5120467 0.81 MLNR (0.69) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL5131588 0.81 MLNR (1.00) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL4752136 0.80 MLNR (0.67) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL1704769 0.80 MLNR (1.00) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL377500 0.78 MLNR (0.73) MLNRCYP3A4CYP2D6GHSRCYP1A2

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 4 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 claimed
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 US disclosed
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 US disclosed
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 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-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.