SCHEMBL737841

SCHEMBL737841

CC(=O)N[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C(C)(C)N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.45
GHSR Q92847 3/20 0.43
OPRM1 P35372 1/20 0.43
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
CTSL P07711 2/20 0.42
KLKB1 P03952 3/20 0.41
KLK1 P06870 2/20 0.40
CTSB P07858 2/20 0.40
MMP9 P14780 5/20 0.40
MMP8 P22894 5/20 0.40
MMP2 P08253 4/20 0.39
MC4R P32245 1/20 0.38
MC3R P41968 1/20 0.38
MC1R Q01726 1/20 0.38
FCER2 P06734 1/20 0.38
OPRD1 P41143 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
SCHEMBL737511 0.97 TACR1 (0.47) TACR1GHSROPRM1CTSSCTSK
SCHEMBL736985 0.90 GHSR (0.56) TACR1GHSROPRM1CTSSCTSK
SCHEMBL736937 0.89 GHSR (0.42) TACR1GHSROPRM1CTSSCTSK
SCHEMBL737818 0.89 GHSR (0.52) TACR1GHSROPRM1CTSSCTSK
SCHEMBL737525 0.87 GHSR (0.47) TACR1GHSROPRM1CTSSCTSK
SCHEMBL736852 0.87 GHSR (0.47) TACR1GHSROPRM1CTSSCTSK
SCHEMBL737824 0.86 GHSR (0.56) TACR1GHSROPRM1CTSSCTSK
SCHEMBL737199 0.86 CTSS (0.42) TACR1GHSROPRM1CTSSCTSK
SCHEMBL738034 0.83 GHSR (0.60) TACR1GHSRCTSSCTSKCTSL
SCHEMBL739671 0.83 GHSR (0.59) TACR1GHSRKLKB1KLK1MMP9

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 TACR1 489/4885GHSR 1/4885OPRM1 3398/4885

“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.