SCHEMBL10190443

SCHEMBL10190443

CC#CCn1c(=O)n(Cc2ccccc2C#N)c2nc(OC)nc(N3CCNCC3)c21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.51
FAP Q12884 4/20 0.42
KCNH2 Q12809 3/20 0.40
DPP9 Q86TI2 1/20 0.40
KMT2A Q03164 1/20 0.39

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 SCHEMBL3880948 0.93 DPP4 (0.45) DPP4FAPKCNH2DPP9
SCHEMBL12845233 0.90 DPP4 (0.51) DPP4KMT2A
SCHEMBL10219640 0.88 DPP4 (0.44) DPP4FAPDPP9
SCHEMBL10222244 0.87 DPP4 (0.43) DPP4FAPKCNH2DPP9
SCHEMBL13866920 0.86 DPP4 (0.48) DPP4FAPKCNH2DPP9
SCHEMBL13867042 0.85 DPP4 (0.56) DPP4FAPKCNH2DPP9KMT2A
SCHEMBL13866916 0.84 DPP4 (0.49) DPP4FAPKCNH2DPP9
Trifluoroacetic Acid SCHEMBL3884728 0.82 DPP4 (0.46) DPP4FAPKCNH2DPP9
SCHEMBL13866924 0.81 DPP4 (0.48) DPP4FAPKCNH2DPP9
SCHEMBL13866930 0.80 DPP4 (0.47) DPP4FAPKCNH2DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 US disclosed
US-7897633-B2 Neuronal disorders such as Alzheimer's disease, Down Syndrome, Parkinson disease, Chorea Huntington, pathogenic psychotic conditions, schizophrenia, impaired food intake, sleep-wakefulness, impaired homeostatic regulation of energy metabolism, impaired autonomic function; alcoholism PROBIODRUG AG (DE) 2011-03-01 US disclosed
US-7897633-B2 Neuronal disorders such as Alzheimer's disease, Down Syndrome, Parkinson disease, Chorea Huntington, pathogenic psychotic conditions, schizophrenia, impaired food intake, sleep-wakefulness, impaired homeostatic regulation of energy metabolism, impaired autonomic function; alcoholism PROBIODRUG AG (DE) 2011-03-01 US disclosed
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-01-15 US disclosed
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-01-15 US disclosed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US disclosed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 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 (2 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-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES NR1D2, STARD10, NR1D1 DPP4 3186/4885FAP 4783/4885KCNH2 812/4885
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase GLS2, GLS, GLUL DPP4 1062/4885FAP 1912/4885KCNH2 2295/4885

“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.