SCHEMBL7036798

SCHEMBL7036798

CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47
XIAP P98170 2/20 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
SCHEMBL7038704 0.88 LMNA (0.53) TP53LMNA
SCHEMBL5764293 0.87 DRD2 (0.53) NPC1RAB9AL3MBTL1NPSR1
SCHEMBL7043244 0.86 KDM4E (0.53) LMNA
SCHEMBL3208272 0.86 NPC1 (0.54) NPC1RAB9AL3MBTL1
SCHEMBL1000224 0.86 NPC1 (0.54) NPC1RAB9AL3MBTL1
SCHEMBL24582713 0.86 NPC1 (0.54) NPC1RAB9AL3MBTL1
SCHEMBL7038648 0.85 KDM4E (0.62) LMNA
SCHEMBL12474768 0.83 NPC1 (0.51) NPC1RAB9AL3MBTL1TP53
SCHEMBL5763420 0.83 NPC1 (0.53) NPC1RAB9AL3MBTL1NPSR1
SCHEMBL7310845 0.82 NPC1 (0.48) NPC1RAB9AL3MBTL1

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-20030027743-A1 Tripeptidylpeptidase inhibitors INSERM 2003-02-06 US disclosed
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 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-20030027743-A1 Tripeptidylpeptidase inhibitors DPP4, DPP3, DPP9 PTPN1 1367/4885NPC1 368/4885RAB9A 3369/4885

“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.