SCHEMBL10054050

SCHEMBL10054050

CNC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1(N)CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.54
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
PIN1 Q13526 1/20 0.47
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
F10 P00742 2/20 0.41
TACR1 P25103 1/20 0.41
KLKB1 P03952 2/20 0.41
KLK1 P06870 2/20 0.41
CALCRL Q16602 2/20 0.41
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
MMP1 P03956 3/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL761165 0.89 F10 (0.52) GHSRMMP2MMP9MMP8CTSL
SCHEMBL739069 0.88 GHSR (0.71) GHSRMMP2MMP9MMP8PIN1
SCHEMBL739675 0.85 GHSR (0.71) GHSRMMP2MMP9MMP8PIN1
SCHEMBL737042 0.83 GHSR (0.64) GHSRMMP2MMP9MMP8PIN1
SCHEMBL738022 0.83 GHSR (0.64) GHSRMMP2MMP9MMP8PIN1
SCHEMBL738041 0.82 GHSR (0.50) GHSRMMP2MMP9MMP8CTSL
SCHEMBL14615563 0.82 GHSR (0.46) GHSRMMP2MMP9MMP8CTSL
SCHEMBL739684 0.82 GHSR (0.85) GHSRMMP9MMP8TACR1OPRM1
SCHEMBL738032 0.82 GHSR (0.85) GHSRMMP9MMP8TACR1OPRM1
SCHEMBL737925 0.82 GHSR (0.60) GHSRMMP2MMP9MMP8PIN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138218-B2 Growth hormone secretagogues IPSEN PHARMA S.A.S. (FR) 2012-03-20 US disclosed
US-20090131478-A1 Growth Hormone Secretagogues IPSEN PHARMA S.A.S. (FR) 2009-05-21 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-20090131478-A1 Growth Hormone Secretagogues GHSR, GHRHR, GHITM GHSR 1/4885MMP2 1089/4885MMP9 3107/4885

“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.