SCHEMBL7045160

SCHEMBL7045160

CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
HDAC8 Q9BY41 2/20 0.57
PRCP P42785 1/20 0.57
PTPN1 P18031 2/20 0.54
F10 P00742 5/20 0.54
PREP P48147 2/20 0.52
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL8750799 0.88 NPSR1 (0.55) NPSR1HDAC8PRCPPTPN1F10
SCHEMBL7038189 0.84 PREP (0.50) NPSR1PREPKDM4EALDH1A1CYP1A2
SCHEMBL9033817 0.84 HDAC8 (0.64) HDAC8PTPN1KDM4EALDH1A1CYP1A2
SCHEMBL9033831 0.84 HDAC8 (0.64) HDAC8PTPN1KDM4EALDH1A1CYP1A2
SCHEMBL7038648 0.83 KDM4E (0.62) PRCPKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL1061148 0.82 NPSR1 (0.60) NPSR1HDAC8PTPN1F10PREP
SCHEMBL9572242 0.82 NPSR1 (0.64) NPSR1HDAC8PTPN1F10KDM4E
SCHEMBL9572243 0.82 NPSR1 (0.64) NPSR1HDAC8PTPN1F10KDM4E
SCHEMBL6244596 0.81 PRCP (0.57) HDAC8PRCPKDM4ECYP3A4
SCHEMBL7038658 0.81 PRCP (0.57) HDAC8PRCPKDM4ECYP3A4

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 NPSR1 397/4885HDAC8 1425/4885PRCP 47/4885

“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.