SCHEMBL20964464

SCHEMBL20964464

CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.51
SSTR3 P32745 1/20 0.49
GNPAT O15228 1/20 0.47
KISS1R Q969F8 4/20 0.46
CPB2 Q96IY4 1/20 0.46
KLKB1 P03952 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
CTSL P07711 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
SCHEMBL20964424 0.88 GHSR (0.55) GHSRCTSL
SCHEMBL20964474 0.86 MMP2 (0.50) GHSRSSTR3CTSL
SCHEMBL20964425 0.85 CALCRL (0.53) SSTR3KISS1RPTPN1
SCHEMBL20964476 0.85 QRFPR (0.49) GHSRGNPATKISS1RCTSL
SCHEMBL20964453 0.85 PTPN1 (0.57) PTPN2PTPN1CTSL
SCHEMBL20964423 0.85 PRSS1 (0.61) GHSRKISS1RCTSL
SCHEMBL20964469 0.84 CTSL (0.49) GHSRKISS1RCTSL
SCHEMBL20964460 0.83 MMP2 (0.53) GHSRKISS1RCTSL
SCHEMBL25062471 0.83 TLR2 (0.57) GHSRSSTR3GNPATCPB2KLKB1
SCHEMBL20964475 0.83 CALCRL (0.52) KISS1RCTSL

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-11220526-B2 Neuropeptide S receptor (NPSR) agonists RESEARCH TRIANGLE INSTITUTE (US) 2022-01-11 US disclosed
US-20190127419-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RESEARCH TRIANGLE INSTITUTE 2019-05-02 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-20190127419-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NPSR1, GRPR, NPBWR1 GHSR 14/4885SSTR3 56/4885GNPAT 2144/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 GHSR 14/4885SSTR3 56/4885GNPAT 2144/4885

“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.