SCHEMBL7044730

SCHEMBL7044730

CCCNC(=O)[C@@H]1Cc2ccccc2N1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1A P08908 4/20 0.44
HTR2A P28223 4/20 0.44
DRD3 P35462 4/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 1/20 0.43
HTR2C P28335 2/20 0.41
DRD2 P14416 1/20 0.41
MCL1 Q07820 3/20 0.41
SMYD3 Q9H7B4 1/20 0.40
HTT P42858 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MASP2 O00187 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL14294241 1.00 GAA (0.56) GAAMAPTHPGDMEN1KMT2A
SCHEMBL7044762 0.92 MAPT (0.54) GAAMAPTHPGDMEN1KMT2A
SCHEMBL7045251 0.88 GAA (0.59) GAAMAPTMEN1KMT2AHTR1A
SCHEMBL14607110 0.84 GAA (0.59) GAAMAPTMEN1KMT2AHTR1A
SCHEMBL928059 0.83 MEN1 (0.60) GAAMAPTMEN1KMT2AHTR1A
Hydrochloric Acid SCHEMBL9544821 0.83 GAA (0.50) GAAMAPTMEN1KMT2AHTR1A
SCHEMBL23772879 0.82 GAA (0.52) GAAMAPTMEN1KMT2AHTR1A
SCHEMBL3535333 0.81 GAA (0.62) GAAMAPTMEN1KMT2AHTR1A
SCHEMBL13610792 0.80 GAA (0.65) GAAMAPTHTR1AHTR2ADRD3
SCHEMBL30146036 0.80 GAA (0.65) GAAMAPTHTR1AHTR2ADRD3

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 GAA 67/4885MAPT 3444/4885HPGD 1247/4885

“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.