SCHEMBL6695897

SCHEMBL6695897

CCCCOC(=O)NCCNc1ncccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MGLL Q99685 2/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ACHE P22303 7/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL6698851 0.94 NPC1 (0.50) NPC1RAB9AHPGDALDH1A1L3MBTL1
SCHEMBL9591070 0.79 HPGD (0.59) NPC1RAB9AHPGDALDH1A1L3MBTL1
SCHEMBL11166104 0.76 NPC1 (0.58) NPC1RAB9AHPGDALDH1A1L3MBTL1
SCHEMBL23828450 0.74 NLRP3 (0.52) NPC1RAB9AHPGDALDH1A1L3MBTL1
SCHEMBL4664636 0.74 FAAH (0.42) NPC1RAB9AHPGDALDH1A1L3MBTL1
SCHEMBL317815 0.73 NPC1 (0.65) NPC1RAB9AHPGDALDH1A1L3MBTL1
SCHEMBL1255046 0.72 GLA (0.58) NPC1RAB9AHPGDALDH1A1L3MBTL1
SCHEMBL11177782 0.72 HPGD (0.60) NPC1RAB9AHPGDALDH1A1L3MBTL1
SCHEMBL6703816 0.71 NPC1 (0.46) NPC1RAB9AHPGDCYP1A2CYP3A4
SCHEMBL28865979 0.71 NPC1 (0.48) NPC1RAB9AHPGDALDH1A1L3MBTL1

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 NPC1 700/4885RAB9A 2032/4885HPGD 2000/4885

“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.