SCHEMBL13217536

SCHEMBL13217536

CCn1c(N2CCNCC2)nc2nc(N(C)CCc3ccccc3)n(C)c(=O)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.51
MAOB P27338 2/20 0.49
HTR3A P46098 2/20 0.44
CETP P11597 1/20 0.43
MAOA P21397 1/20 0.43
HTR2C P28335 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
NAPEPLD Q6IQ20 1/20 0.41

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
SCHEMBL13217373 0.91 DPP4 (0.52) DPP4HTR3AL3MBTL1ALDH1A1MAPT
SCHEMBL13200090 0.89 DPP4 (0.59) DPP4MAOBHTR3ACETP
SCHEMBL13217354 0.85 HTR2C (0.55) DPP4HTR3AHTR2CL3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL2968281 0.83 DPP4 (0.53) DPP4MAOBNAPEPLD
SCHEMBL13217436 0.82 DPP4 (0.56) DPP4HTR3AHTR2CL3MBTL1ALDH1A1
SCHEMBL13217548 0.82 DPP4 (0.41) DPP4HTR2CL3MBTL1ALDH1A1MAPT
SCHEMBL13217535 0.80 DPP4 (0.52) DPP4MAOBHTR3AMAOAHTR2C
SCHEMBL13217728 0.79 DPP4 (0.44) DPP4HTR3AHTR2CL3MBTL1ALDH1A1
SCHEMBL13200083 0.79 DPP4 (0.60) DPP4L3MBTL1
SCHEMBL13217522 0.79 PIM1 (0.45) DPP4L3MBTL1ALDH1A1

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-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885MAOB 1690/4885HTR3A 1879/4885

“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.