SCHEMBL5128342

SCHEMBL5128342

O=C(c1ncc[nH]1)N1CCC(Nc2cccc(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLNR O43193 10/20 0.50
CYP3A4 P08684 5/20 0.50
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
GHSR Q92847 1/20 0.50
FGFR1 P11362 1/20 0.49
PDGFRA P16234 1/20 0.49
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49
KDM4E B2RXH2 1/20 0.48
KCNH2 Q12809 1/20 0.46
GFER P55789 2/20 0.45
HCRTR1 O43613 1/20 0.45
KMT2A Q03164 2/20 0.45
EPHX2 P34913 1/20 0.43

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
SCHEMBL7297189 0.78 EPHX1 (0.57) CYP3A4CYP1A2KDM4EHCRTR1KMT2A
SCHEMBL4131412 0.77 KDM4E (0.60) MLNRCYP3A4CYP2D6KDM4EKCNH2
SCHEMBL16598608 0.72 KMT2A (0.57) KMT2A
SCHEMBL14633046 0.72 MLNR (0.74) MLNRCYP3A4CYP2D6CYP1A2GHSR
SCHEMBL4752136 0.72 MLNR (0.67) MLNRCYP3A4CYP2D6CYP1A2GHSR
SCHEMBL377914 0.70 ALDH1A1 (0.62) MLNRCYP3A4CYP2D6KDM4EKCNH2
SCHEMBL16812295 0.70 APOBEC3A (0.48)
SCHEMBL17275249 0.70 HTR2B (0.56) KDM4E
SCHEMBL1803049 0.69 KDM4E (0.66) KDM4EKMT2A
SCHEMBL13844240 0.69 KDM4E (0.71) MLNRCYP3A4CYP2D6KDM4EKCNH2

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-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.