SCHEMBL7044461

SCHEMBL7044461

CCCCNC(=O)[C@H]1Cc2c(cccc2OCC)N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HCRTR1 O43613 2/20 0.41
TSHR P16473 1/20 0.41
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTNR1A P48039 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
PRCP P42785 1/20 0.38
HPGD P15428 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7039796 0.90 MTNR1A (0.48) L3MBTL1DRD2DRD3KDM4EALDH1A1
SCHEMBL7037275 0.81 DRD2 (0.45) GAAL3MBTL1HCRTR1TSHRDRD2
SCHEMBL7669210 0.80 GAA (0.48) GAAL3MBTL1DRD2DRD3HSD17B10
SCHEMBL7669208 0.80 GAA (0.48) GAAL3MBTL1DRD2DRD3HSD17B10
SCHEMBL12596308 0.78 DRD2 (0.48) GAAL3MBTL1TSHRDRD2DRD3
SCHEMBL7036768 0.77 MEN1 (0.43) ALDH1A1MTNR1APRCPHPGDKMT2A
Benzene SCHEMBL27790053 0.77 DRD2 (0.47) GAATSHRDRD2DRD3KDM4E
SCHEMBL7044762 0.77 MAPT (0.54) GAATSHRDRD2DRD3KDM4E
Benzene SCHEMBL27768484 0.73 MAPT (0.46) GAADRD2DRD3ALDH1A1HSD17B10
SCHEMBL7042289 0.71 NPC1 (0.45) GAADRD2DRD3SMN1; SMN2LMNA

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 67/4885L3MBTL1 1017/4885HCRTR1 958/4885

“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.