SCHEMBL17252074

SCHEMBL17252074

CC[C@@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)C2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.51
▸ TACR2 P21452 2/20 0.48
▸ HDAC4 P56524 2/20 0.47
▸ ST14 Q9Y5Y6 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
SCHEMBL17252023 0.93 TACR1 (0.48) TACR1HDAC4ST14
SCHEMBL17252024 0.92 TACR1 (0.49) TACR1HDAC4ST14
Dianthin E SCHEMBL29404462 0.84 ST14 (0.53) TACR1HDAC4ST14
SCHEMBL29779774 0.83 ST14 (0.49) TACR1ST14
SCHEMBL29779778 0.82 GHSR (0.52) HDAC4ST14
SCHEMBL28240936 0.82 GHSR (0.52) HDAC4ST14
SCHEMBL29352662 0.81 HDAC8 (0.49) HDAC4
SCHEMBL29779763 0.79 ABCB1 (0.51) —
SCHEMBL29220474 0.79 ABCB1 (0.55) HDAC4
SCHEMBL32676347 0.79 PSMB11 (0.53) TACR1

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-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 (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-20150322474-A1 IN VITRO PRODUCTION OF CYCLIC PEPTIDES NRDC, TRHDE, PTMA TACR1 3131/4885TACR2 2549/4885HDAC4 3041/4885

“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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