SCHEMBL440331

SCHEMBL440331

O=C(c1ccncc1)C1CCCCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.41
PREP P48147 3/20 0.40
FAP Q12884 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP4 P27487 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3088285 0.86 MCL1 (0.46) HPGD
SCHEMBL5172182 0.86 MCL1 (0.46) HPGD
SCHEMBL4779559 0.83 HPGD (0.44) CYP1A2CYP2C9GAADPP4HPGD
SCHEMBL5225772 0.83 FKBP1A (0.47) KDM4EGAAPOLBPREPFAP
SCHEMBL20482097 0.81 ALDH1A1 (0.49) DPP4
SCHEMBL20482428 0.81 ALDH1A1 (0.49) DPP4
SCHEMBL3001673 0.81 ALDH1A1 (0.49) DPP4
SCHEMBL441130 0.80 NPC1 (0.51) KDM4EPOLBL3MBTL1
SCHEMBL7960313 0.79 TDP1 (0.61) KDM4EGAARECQLHPGDTDP1
SCHEMBL3846351 0.78 ALDH1A1 (0.44) KDM4EGAAPOLBHPGDTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20100256186-A1 SULFONYL-PIPERIDIN-4-YL METHYLAMINE AMIDE ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY 2010-10-07 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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 (2 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-20100256186-A1 SULFONYL-PIPERIDIN-4-YL METHYLAMINE AMIDE ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS SLC1A2, SLC1A1, SLC18A2 KDM4E 1141/4885CYP1A2 1413/4885CYP3A4 1202/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT KDM4E 2452/4885CYP1A2 1288/4885CYP3A4 2889/4885

“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.