SCHEMBL2927263

SCHEMBL2927263

N#C[C@@H](N)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
DPP4 P27487 5/20 0.45
FAP Q12884 2/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 1/20 0.45
IDO1 P14902 4/20 0.44
MAOB P27338 1/20 0.41
KIF11 P52732 2/20 0.40
GRB2 P62993 1/20 0.39
DAO P14920 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MIF P14174 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
SCHEMBL29162871 1.00 TAAR1 (0.46) TAAR1DPP4FAPDPP8DPP9
SCHEMBL2269567 0.81 TAAR1 (0.46) TAAR1DPP4FAPDPP8DPP9
SCHEMBL2269385 0.81 TAAR1 (0.46) TAAR1DPP4FAPDPP8DPP9
SCHEMBL9394937 0.81 TAAR1 (0.46) TAAR1DPP4FAPDPP8DPP9
SCHEMBL4657387 0.81 TAAR1 (0.44) TAAR1DPP4FAPDPP8DPP9
SCHEMBL3754937 0.79 LOXL2 (0.43) TAAR1DPP4FAPDPP8DPP9
SCHEMBL9921577 0.79 LOXL2 (0.43) TAAR1DPP4FAPDPP8DPP9
SCHEMBL16553364 0.78 CTSC (0.41) TAAR1DPP4FAPDPP8DPP9
SCHEMBL11766521 0.78 TAAR1 (0.41) TAAR1DPP4FAPDPP8DPP9
SCHEMBL23176831 0.77 TAAR1 (0.46) TAAR1DPP4FAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225196-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES Merck Frosst Canada Ltd. (CA) 2010-09-08 EP claimed
WO-2009067797-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2009-06-04 WO claimed
US-8642799-B2 Cysteine protease inhibitors for the treatment of parasitic diseases MERCK CANADA INC. (CA) 2014-02-04 US disclosed
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2013-09-19 US disclosed
US-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE MERCK FROSST CANADA LTD. (CA) 2010-12-02 US disclosed
EP-2225196-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES Merck Frosst Canada Ltd. (CA) 2010-09-08 EP disclosed
WO-2009067797-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2009-06-04 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 (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-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE CTSL, SERPINB1, CTSZ TAAR1 3523/4885DPP4 356/4885FAP 861/4885
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES CTSL, SERPINB1, CTSZ TAAR1 3983/4885DPP4 296/4885FAP 629/4885

“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.