SCHEMBL20964503

SCHEMBL20964503

C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
CFTR P13569 5/20 0.42
NMUR2 Q9GZQ4 1/20 0.42
NMUR1 Q9HB89 1/20 0.42
OPRD1 P41143 3/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL20964505 0.84 OPRD1 (0.46) LMNAPKMALDH1A1GAASMN1; SMN2
SCHEMBL10119262 0.82 LMNA (0.61) LMNAPKMALDH1A1GAASMN1; SMN2
SCHEMBL12518071 0.82 LMNA (0.61) LMNAPKMALDH1A1GAASMN1; SMN2
SCHEMBL12518268 0.74 POLB (0.48) LMNAPKMALDH1A1GAASMN1; SMN2
SCHEMBL8698541 0.72 LMNA (0.58) LMNAPKMALDH1A1GAASMN1; SMN2
SCHEMBL6763946 0.70 CXCR3 (0.52) LMNAPKMMEN1MAPTPABPC1
SCHEMBL8495772 0.70 LMNA (0.61) LMNAPKMALDH1A1GAASMN1; SMN2
SCHEMBL12421737 0.69 XIAP (0.48) OPRD1
SCHEMBL20964504 0.69 ACE (0.44) NMUR2NMUR1OPRD1
SCHEMBL20964443 0.69 PSMB5 (0.55)

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 LMNA 3149/4885PKM 2570/4885ALDH1A1 4821/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 LMNA 3149/4885PKM 2570/4885ALDH1A1 4821/4885

“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.