SCHEMBL6698770

SCHEMBL6698770

CC(N)(CN)Cc1cnccn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HRH1 P35367 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL1912682 0.78 HDAC3 (0.38) HSP90AA1CYP3A4HDAC3HDAC1HDAC2
SCHEMBL6702899 0.74 HRH1 (0.50) CYP1A2HRH1
SCHEMBL6698772 0.73 HSP90AA1 (0.36) HSP90AA1
SCHEMBL6959952 0.73 ADORA3 (0.44) HSP90AA1HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL15671403 0.73 HRH1 (0.48) CYP1A2HRH1
SCHEMBL2021219 0.72 KDM4E (0.34) HSP90AA1CYP3A4HDAC3HDAC1HDAC2
SCHEMBL214832 0.71
SCHEMBL23138108 0.70 CYP2D6 (0.33) HSP90AA1CYP3A4HDAC3HDAC1HDAC2
SCHEMBL21024973 0.70 CYP2D6 (0.33) HSP90AA1CYP3A4HDAC3HDAC1HDAC2
SCHEMBL11260406 0.70 CYP1A2 (0.31) HSP90AA1CYP3A4HDAC3HDAC1HDAC2

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 HSP90AA1 1731/4885CYP3A4 972/4885HDAC3 774/4885

“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.