SCHEMBL7036768

SCHEMBL7036768

CCCCNC(=O)[C@H]1Cc2c(ccc(OC)c2OC)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PRCP P42785 1/20 0.38
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HTR1A P08908 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36

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 0.85 MTNR1A (0.48) ALDH1A1CYP2C9MTNR1A
SCHEMBL5564125 0.79 ACHE (0.41) KMT2AALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL7657562 0.78 ALDH1A1 (0.44) MEN1KMT2AALDH1A1CYP2D6CYP2C19
SCHEMBL7657575 0.78 ALDH1A1 (0.44) MEN1KMT2AALDH1A1CYP2D6CYP2C19
SCHEMBL7044461 0.77 GAA (0.46) KMT2AALDH1A1PRCPHPGDMTNR1A
SCHEMBL7042773 0.76 HDAC8 (0.48) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL7041535 0.76 HDAC8 (0.48) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL7668937 0.76 HDAC8 (0.48) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL7044762 0.72 MAPT (0.54) MEN1KMT2AALDH1A1CYP2D6PRCP
SCHEMBL7664595 0.71 NPC1 (0.45) PRCPNPC1HTR1AHTR2CHTR2A

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 MEN1 1210/4885KMT2A 3617/4885PDE4A 1595/4885

“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.