SCHEMBL23381319

SCHEMBL23381319

CC(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.55
▸ DPP3 Q9NY33 5/20 0.54
▸ OPRM1 P35372 1/20 0.48
▸ CAPN1 P07384 2/20 0.48
▸ CTSB P07858 2/20 0.48
▸ PSMB9 P28065 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
SCHEMBL26211725 1.00 TACR1 (0.55) TACR1DPP3OPRM1CAPN1CTSB
SCHEMBL23381127 0.93 TACR1 (0.54) TACR1DPP3OPRM1CAPN1CTSB
SCHEMBL21954050 0.86 CCKBR (0.60) OPRM1
SCHEMBL21955438 0.83 DPP3 (0.56) TACR1DPP3OPRM1PSMB9
SCHEMBL21955434 0.83 TACR1 (0.57) TACR1DPP3OPRM1
SCHEMBL29461794 0.81 TACR1 (0.56) TACR1DPP3OPRM1
SCHEMBL29547724 0.81 OPRM1 (0.55) OPRM1
SCHEMBL31670646 0.80 DPP3 (0.54) TACR1DPP3OPRM1CAPN1CTSB
SCHEMBL26211758 0.80 OPRD1 (0.49) TACR1OPRM1PSMB9
SCHEMBL29579701 0.80 DPP3 (0.56) TACR1DPP3

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-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-05-20 — — 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-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID TACR1 138/4885DPP3 83/4885OPRM1 945/4885

“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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