SCHEMBL736960

SCHEMBL736960

O=CN[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1CCNCC1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.84
OPRM1 P35372 1/20 0.57
ECE1 P42892 1/20 0.43
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
CALCRL Q16602 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL739061 1.00 GHSR (0.84) GHSROPRM1ECE1ITGB2ICAM1
SCHEMBL737028 0.93 GHSR (0.70) GHSROPRM1CALCRL
SCHEMBL739664 0.90 GHSR (0.84) GHSROPRM1ECE1ITGB2ICAM1
SCHEMBL737830 0.90 GHSR (0.84) GHSROPRM1ECE1ITGB2ICAM1
SCHEMBL737983 0.87 GHSR (0.63) GHSROPRM1CALCRL
SCHEMBL737982 0.87 GHSR (0.63) GHSROPRM1CALCRL
SCHEMBL737834 0.85 GHSR (0.85) GHSROPRM1ECE1HDAC3HDAC4
SCHEMBL739292 0.85 GHSR (0.85) GHSROPRM1ECE1HDAC3HDAC4
SCHEMBL739280 0.84 GHSR (0.59) GHSROPRM1CALCRL
SCHEMBL736833 0.84 GHSR (0.59) GHSROPRM1CALCRL

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 1/4885OPRM1 3398/4885ECE1 1276/4885

“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.