SCHEMBL10054043

SCHEMBL10054043

NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.57
FCER2 P06734 2/20 0.51
CTSB P07858 1/20 0.51
MC1R Q01726 4/20 0.50
MC4R P32245 2/20 0.50
MC3R P41968 2/20 0.50
MC5R P33032 2/20 0.48
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
KCNH2 Q12809 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTR3A P46098 1/20 0.44

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
SCHEMBL14527547 0.93 CAPN1 (0.58) CAPN1FCER2CTSBMC1RMC4R
SCHEMBL26002538 0.89 CAPN1 (0.58) CAPN1FCER2CTSBMC1RMC5R
SCHEMBL29958699 0.89 CAPN1 (0.55) CAPN1CTSBMC1RMC4RMC3R
SCHEMBL14527567 0.85 FCER2 (0.52) CAPN1FCER2CTSBMC1RMC4R
SCHEMBL14527561 0.84 BDKRB2 (0.49) CAPN1MC1RMC4RMC3RPLG
SCHEMBL14527564 0.84 CAPN1 (0.51) CAPN1FCER2CTSBMC1RMC4R
SCHEMBL14527656 0.84 PLG (0.53) CAPN1FCER2CTSBMC1RMC4R
SCHEMBL14527548 0.84 CAPN1 (0.48) CAPN1CTSBMC1RMC4RMC3R
SCHEMBL14288708 0.84 CAPN1 (0.48) CAPN1CTSBMC1RMC4RMC3R
SCHEMBL14527521 0.82 CAPN1 (0.54) CAPN1FCER2CTSBMC1RMC4R

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 CAPN1 3316/4885FCER2 4722/4885CTSB 964/4885

“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.