SCHEMBL7043248

SCHEMBL7043248

CCCN(C(=O)OCc1ccccc1)C(=O)[C@@H]1Cc2ccccc2N1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTR2C P28335 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL7038649 0.94 GAA (0.45) GAAMAPTBRD4CREBBPTSHR
SCHEMBL7038705 0.91 GAA (0.49) GAAMAPTBRD4CREBBPTSHR
SCHEMBL7036800 0.84 MAPT (0.51) GAAMAPTBRD4CREBBPTSHR
SCHEMBL7045156 0.79 KMT2A (0.44) TSHRALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL14018477 0.77 GAA (0.60) GAAMAPTBRD4CREBBPTSHR
SCHEMBL13889275 0.77 GAA (0.60) GAAMAPTBRD4CREBBPTSHR
SCHEMBL7502830 0.77 GAA (0.56) GAAMAPTTSHRTP53SMN1; SMN2
SCHEMBL3899815 0.77 GAA (0.60) GAAMAPTBRD4CREBBPTSHR
Hydrochloric Acid SCHEMBL8041147 0.76 GAA (0.59) GAAMAPTBRD4CREBBPTSHR
SCHEMBL7273204 0.72 HTR2C (0.43) TSHRALDH1A1SIGMAR1HTR2CL3MBTL1

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 3444/4885BRD4 2970/4885

“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.