SCHEMBL17252023

SCHEMBL17252023

CCC(C)C1NC(=O)CNC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C)NC(=O)C(CS)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.48
▸ ST14 Q9Y5Y6 1/20 0.48
▸ HDAC4 P56524 3/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TCF4 P15884 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ GHSR Q92847 1/20 0.46

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
SCHEMBL17252074 0.93 TACR1 (0.51) TACR1ST14HDAC4
SCHEMBL17252024 0.93 TACR1 (0.49) TACR1ST14HDAC4HDAC3HDAC1
Dianthin E SCHEMBL29404462 0.84 ST14 (0.53) TACR1ST14HDAC4HDAC3HDAC1
SCHEMBL29352662 0.83 HDAC8 (0.49) HDAC4HDAC1HDAC8HDAC6
SCHEMBL21558817 0.83 GHSR (0.49) HDAC1GHSR
SCHEMBL28240936 0.80 GHSR (0.52) ST14HDAC4GHSR
SCHEMBL29779778 0.80 GHSR (0.52) ST14HDAC4GHSR
SCHEMBL29779774 0.80 ST14 (0.49) TACR1ST14GHSR
SCHEMBL29220474 0.80 ABCB1 (0.55) HDAC4GHSR
Antamanide SCHEMBL585268 0.79 HDAC4 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867246-B1 IN VITRO PRODUCTION OF CYCLIC PEPTIDES UNIV OXFORD INNOVATION LTD (GB) 2019-11-13 — — EP disclosed
US-20180179570-A1 IN VITRO PRODUCTION OF CYCLIC PEPTIDES THE UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2018-06-28 — — US disclosed
US-20150322474-A1 IN VITRO PRODUCTION OF CYCLIC PEPTIDES The University of the University of Aberdeen (GB) 2015-11-12 — — 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-20150322474-A1 IN VITRO PRODUCTION OF CYCLIC PEPTIDES NRDC, TRHDE, PTMA TACR1 3131/4885ST14 378/4885HDAC4 3041/4885
US-20180179570-A1 IN VITRO PRODUCTION OF CYCLIC PEPTIDES NRDC, TRHDE, PEPD TACR1 2926/4885ST14 425/4885HDAC4 2985/4885

“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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