SCHEMBL21955438

SCHEMBL21955438

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.56
▸ TACR1 P25103 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ PSMB9 P28065 1/20 0.48
▸ OPRM1 P35372 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
SCHEMBL21955434 0.88 TACR1 (0.57) DPP3TACR1OPRM1
SCHEMBL21954050 0.86 CCKBR (0.60) OPRM1
SCHEMBL23381319 0.83 TACR1 (0.55) DPP3TACR1PSMB9OPRM1
SCHEMBL26211725 0.83 TACR1 (0.55) DPP3TACR1PSMB9OPRM1
SCHEMBL23381127 0.82 TACR1 (0.54) DPP3TACR1PSMB9OPRM1
SCHEMBL29547724 0.82 OPRM1 (0.55) OPRM1
SCHEMBL29461794 0.81 TACR1 (0.56) DPP3TACR1OPRM1
SCHEMBL23381025 0.79 OPRM1 (0.56) DPP3TACR1OPRM1
SCHEMBL17268807 0.78 DPP3 (0.63) DPP3
SCHEMBL30921658 0.78 ITGB2 (0.65) DPP3TACR1MEN1ALOX15KMT2A

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-10919937-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2021-02-16 — — US disclosed
US-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2020-04-30 — — 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 (2 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-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID DPP3 83/4885TACR1 138/4885KDM4E 4848/4885
US-10919937-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID DPP3 83/4885TACR1 138/4885KDM4E 4848/4885

“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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