SCHEMBL13200211

SCHEMBL13200211

CC#CCn1c(N2CCNCC2)nc2nc(NCC(N)=O)n(CCc3ccccc3)c(=O)c21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.55
FAP Q12884 5/20 0.48
DPP9 Q86TI2 1/20 0.45
CHRM1 P11229 4/20 0.43
HTR3A P46098 1/20 0.43

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 SCHEMBL2964046 0.99 DPP4 (0.55) DPP4FAPDPP9CHRM1HTR3A
Hydrochloric Acid SCHEMBL2966608 0.94 DPP4 (0.57) DPP4FAPDPP9CHRM1HTR3A
SCHEMBL13200213 0.89 DPP4 (0.53) DPP4FAPDPP9CHRM1HTR3A
SCHEMBL13200096 0.83 DPP4 (0.59) DPP4FAPDPP9CHRM1
SCHEMBL13200079 0.82 DPP4 (0.61) DPP4FAPDPP9CHRM1
SCHEMBL13200193 0.82 DPP4 (0.60) DPP4FAPDPP9CHRM1HTR3A
SCHEMBL13200201 0.82 DPP4 (0.60) DPP4FAPDPP9CHRM1HTR3A
Hydrochloric Acid SCHEMBL2966184 0.82 DPP4 (0.56) DPP4FAPDPP9CHRM1HTR3A
Hydrochloric Acid SCHEMBL2952615 0.82 DPP4 (0.56) DPP4FAPDPP9CHRM1HTR3A
Hydrochloric Acid SCHEMBL6413292 0.82 DPP4 (0.56) DPP4FAPDPP9CHRM1HTR3A

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 3205/4885DPP9 19/4885

“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.