SCHEMBL761452

SCHEMBL761452

NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(N)CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.73
ECE1 P42892 5/20 0.55
HPGDS O60760 2/20 0.54
F10 P00742 1/20 0.50
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
MC5R P33032 2/20 0.48
MC1R Q01726 2/20 0.48
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
ALOX15 P16050 1/20 0.47
ACE P12821 1/20 0.47

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
SCHEMBL762500 0.83 GHSR (0.52) GHSRHPGDSACE
SCHEMBL14213192 0.80 ECE1 (0.67) ECE1HPGDSF10KMT2ACA12
SCHEMBL761165 0.80 F10 (0.52) GHSRF10
SCHEMBL762665 0.80 GHSR (0.71) GHSRECE1HPGDSF10KMT2A
SCHEMBL6715572 0.79 ECE1 (0.66) ECE1HPGDSF10KMT2ACA12
Acetyltryptophanamide SCHEMBL455277 0.78 ECE1 (0.68) ECE1HPGDSF10KMT2ACA12
Acetyltryptophanamide SCHEMBL3202823 0.78 ECE1 (0.68) ECE1HPGDSF10KMT2ACA12
Acetyltryptophanamide SCHEMBL22850012 0.78 ECE1 (0.68) ECE1HPGDSF10KMT2ACA12
SCHEMBL738032 0.78 GHSR (0.85) GHSRECE1KMT2AALOX15
SCHEMBL739684 0.78 GHSR (0.85) GHSRECE1KMT2AALOX15

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 1/4885ECE1 1276/4885HPGDS 335/4885

“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.