SCHEMBL5139527

SCHEMBL5139527

CC1CCN(C(=O)N(N)Cc2cccc(C#N)c2)C(I)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.41
DPP4 P27487 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM1A O60341 3/20 0.40
CCR5 P51681 4/20 0.40
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
EPHX1 P07099 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MLNR O43193 1/20 0.37
F10 P00742 1/20 0.37
HSD11B1 P28845 1/20 0.36
DCUN1D1 Q96GG9 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
SCHEMBL5454035 0.83 KDM1A (0.46) DPP7DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL5105276 0.82 KDM1A (0.45) DPP7DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL5105273 0.82 KDM1A (0.45) DPP7DPP4FAPDPP8DPP9
SCHEMBL14289387 0.81 DPP7 (0.48) DPP7DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL5106297 0.80 DPP7 (0.47) DPP7DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL5106295 0.80 DPP7 (0.47) DPP7DPP4FAPDPP8DPP9
SCHEMBL14289388 0.76 DPP7 (0.53) DPP7DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL5107306 0.75 DPP7 (0.52) DPP7DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL5107311 0.75 DPP7 (0.52) DPP7DPP4FAPDPP8DPP9
SCHEMBL14289411 0.71 GRM5 (0.52) MEP1AMEP1BMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 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-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors TFPI, SERPINC1, F2 DPP7 204/4885DPP4 272/4885FAP 92/4885

“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.