SCHEMBL6697752

SCHEMBL6697752

N#Cc1cccnc1N1CCC(N)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
RECQL P46063 1/20 0.69
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
DRD2 P14416 6/20 0.52
HTR2A P28223 5/20 0.52
HSD11B1 P28845 2/20 0.50
MALT1 Q9UDY8 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
DRD4 P21917 2/20 0.46
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
Hydrochloric Acid SCHEMBL5223467 0.98 KDM4E (0.67) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL1514427 0.93 KDM4E (0.64) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL5615322 0.93 KDM4E (0.64) KDM4ERECQLALDH1A1MAPTDRD2
Hydrochloric Acid SCHEMBL1514615 0.91 KDM4E (0.62) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL3291180 0.89 KDM4E (0.67) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL19011668 0.85 KDM4E (0.66) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL565864 0.82 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL3287137 0.82 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL30607573 0.81 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL3287870 0.81 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTDRD2

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 KDM4E 2945/4885RECQL 4374/4885ALDH1A1 925/4885

“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.