SCHEMBL13200992

SCHEMBL13200992

CC#CCn1c(N2CCNCC2)nc2ccn(C)c(=O)c21

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.61
FAP Q12884 5/20 0.55
CHRM1 P11229 2/20 0.53
DPP9 Q86TI2 1/20 0.49

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
Trifluoroacetic Acid SCHEMBL2960604 0.91 DPP4 (0.52) DPP4FAPCHRM1DPP9
SCHEMBL13217743 0.84 PIM1 (0.49) DPP4
SCHEMBL6380045 0.83 DPP4 (0.61) DPP4FAPCHRM1DPP9
SCHEMBL2967103 0.82 DPP4 (0.61) DPP4FAPCHRM1DPP9
SCHEMBL13201006 0.82 DPP4 (0.55) DPP4FAPCHRM1DPP9
SCHEMBL13200186 0.81 DPP4 (0.60) DPP4FAPCHRM1DPP9
SCHEMBL13201009 0.81 DPP4 (0.54) DPP4FAPCHRM1DPP9
SCHEMBL8351412 0.80 DPP4 (0.85) DPP4
SCHEMBL13201012 0.80 DPP4 (0.58) DPP4FAPCHRM1
SCHEMBL13201007 0.79 DPP4 (0.53) DPP4FAPCHRM1DPP9

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 1/4885FAP 3205/4885CHRM1 43/4885

“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.