SCHEMBL14554341

SCHEMBL14554341

CC#CCn1c(N2CCC[C@@H](N)C2)nc2nc3n(c(=O)c21)CC(=O)N3C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
FAP Q12884 3/20 0.66
KCNH2 Q12809 1/20 0.62
CHRM1 P11229 3/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP9 Q86TI2 1/20 0.51

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
SCHEMBL13200730 0.85 DPP4 (0.74) DPP4CHRM1
SCHEMBL13200705 0.81 DPP4 (0.68) DPP4CHRM1
SCHEMBL15683116 0.80 DPP4 (0.66) DPP4FAPKCNH2
SCHEMBL14554395 0.80 DPP4 (1.00) DPP4FAPKCNH2DPP8DPP9
SCHEMBL13200710 0.80 DPP4 (0.66) DPP4CHRM1
SCHEMBL14554318 0.79 DPP4 (0.78) DPP4FAPKCNH2DPP8DPP9
Trifluoroacetic Acid SCHEMBL2967451 0.78 DPP4 (0.64) DPP4CHRM1
SCHEMBL14554368 0.78 DPP4 (1.00) DPP4FAPKCNH2DPP8DPP9
SCHEMBL3970996 0.77 DPP4 (0.63) DPP4FAPCHRM1DPP8DPP9
SCHEMBL14554320 0.77 DPP4 (1.00) DPP4FAPKCNH2DPP8DPP9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051329-B2 Tricyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-09 US disclosed
US-9051329-B2 Tricyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-09 US disclosed
US-20140113920-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-04-24 US disclosed
US-20140113920-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-04-24 US disclosed
WO-2013006526-A2 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-10 WO 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-20140113920-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP7, DPP3 DPP4 1/4885FAP 22/4885KCNH2 2384/4885

“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.