SCHEMBL23734106

SCHEMBL23734106

CC(C)CC(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.46
▸ ACE2 Q9BYF1 1/20 0.44
▸ ITGB2 P05107 2/20 0.43
▸ ICAM1 P05362 2/20 0.43
▸ ITGAL P20701 2/20 0.43
▸ SLC15A2 Q16348 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.41
▸ ERAP2 Q6P179 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ CAPN1 P07384 2/20 0.41
▸ HRH4 Q9H3N8 4/20 0.40
▸ HRH3 Q9Y5N1 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ THPO P40225 1/20 0.40

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
SCHEMBL12232397 0.81 REN (0.48) RENSLC15A2ERAP2ERAP1LNPEP
SCHEMBL12829313 0.79 CYP3A4 (0.48) RENITGB2ICAM1ITGALSLC6A5
SCHEMBL28035475 0.78 CYP3A4 (0.56) ITGB2ICAM1ITGALSLC15A2SLC6A5
SCHEMBL27414269 0.77 CYP3A4 (0.46) ITGB2ICAM1ITGALSLC6A5HRH4
SCHEMBL10092612 0.77 CYP3A4 (0.51) RENITGB2ICAM1ITGALSLC15A2
SCHEMBL27265732 0.76 TBXAS1 (0.50) SLC15A2SLC6A5CYP3A4SLC7A5
SCHEMBL10795770 0.75 ITGB2 (0.46) ITGB2ICAM1ITGALSLC6A5CAPN1
SCHEMBL27823573 0.73 HRH3 (0.43) ITGB2ICAM1ITGALSLC6A5HRH4
SCHEMBL29368268 0.73 SLC15A2 (0.53) RENACE2ITGB2ICAM1ITGAL
SCHEMBL21828702 0.72 CYP3A4 (0.57) RENACE2ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11083805-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2021-08-10 — — 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-11083805-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer GRPR, GIPR, CCKBR REN 2577/4885ACE2 4313/4885ITGB2 4267/4885

“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.

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