SCHEMBL13217455

SCHEMBL13217455

CCn1c(N2CCNCC2)nc2cnn(CCO)c(=O)c21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.47
CHRM1 P11229 2/20 0.47
PIM1 P11309 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.37
HTR3A P46098 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
FLT3 P36888 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL13217467 0.87 ALDH1A1 (0.46) DPP4CHRM1PIM1ALDH1A1
SCHEMBL13200737 0.86 DPP4 (0.63) DPP4CHRM1
SCHEMBL13200873 0.85 DPP4 (0.56) DPP4CHRM1PIM1HTR3A
SCHEMBL13217690 0.84 PIM1 (0.49) DPP4CHRM1PIM1L3MBTL1HTR3A
SCHEMBL13217456 0.84 HTR3A (0.56) DPP4CHRM1HTR3AALDH1A1
SCHEMBL13217595 0.83 DPP4 (0.50) DPP4CHRM1PIM1L3MBTL1HTR3A
SCHEMBL13217596 0.83 DPP4 (0.50) DPP4CHRM1PIM1ALDH1A1
SCHEMBL13217421 0.82 MEN1 (0.48) DPP4CHRM1PIM1ALDH1A1POLB
SCHEMBL13217574 0.81 HTR2C (0.53) DPP4CHRM1HTR3AALDH1A1
SCHEMBL13217883 0.81 DPP4 (0.50) DPP4CHRM1PIM1HTR3APOLB

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 1/4885CHRM1 43/4885PIM1 1065/4885

“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.