SCHEMBL5129137

SCHEMBL5129137

COC(=O)c1nc(C)sc1-c1ccc(CN2C[C@@H](C)N[C@@H](C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
PKM P14618 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MLNR O43193 14/20 0.44
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 6/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
CYP2D6 P10635 1/20 0.40
GHSR Q92847 1/20 0.40
RCE1 Q9Y256 1/20 0.39

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
SCHEMBL5128288 0.88 MLNR (0.46) MLNRCYP3A4HCRTR1HCRTR2CYP2D6
SCHEMBL14001063 0.88 MLNR (0.46) MLNRCYP3A4CYP2D6GHSR
SCHEMBL270001 0.79 KDM4E (0.52) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4790020 0.78 MLNR (0.44) MLNRCYP3A4
SCHEMBL5132190 0.77 MLNR (0.39) MLNRCYP3A4
SCHEMBL5131916 0.77 MLNR (0.63) MLNRCYP3A4CYP2D6GHSR
SCHEMBL4698581 0.77 MLNR (0.63) MLNRCYP3A4CYP2D6GHSR
SCHEMBL17078932 0.76 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL17078597 0.76 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL17078496 0.76 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2L3MBTL1HPGD

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 KDM4E 2938/4885PKM 3159/4885ALDH1A1 2565/4885

“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.