SCHEMBL3754937

SCHEMBL3754937

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
TRPA1 O75762 1/20 0.41
DPP4 P27487 5/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
FAP Q12884 3/20 0.40
DPP7 Q9UHL4 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 3/20 0.39
AGXT P21549 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL9921577 1.00 LOXL2 (0.43) LOXL2TRPA1DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL1671803 0.98 LOXL2 (0.41) LOXL2TRPA1DPP4DPP8DPP9
SCHEMBL16553364 0.83 CTSC (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL2268272 0.79 LOXL2 (0.43) LOXL2TRPA1DPP4DPP8DPP9
SCHEMBL2075236 0.79 CYP1A2 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL3756872 0.79 LOXL2 (0.54) LOXL2DPP4DPP8DPP9FAP
SCHEMBL2075238 0.79 CYP1A2 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL12688202 0.79 DPP4 (0.40) DPP4DPP8DPP9FAPDPP7
SCHEMBL3393051 0.79 LOXL2 (0.43) LOXL2TRPA1DPP4DPP8DPP9
SCHEMBL9886035 0.79 DPP4 (0.40) DPP4DPP8DPP9FAPDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225196-B1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK CANADA INC (CA) 2015-01-28 EP disclosed
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

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 LOXL2 655/4885TRPA1 1704/4885DPP4 356/4885
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES CTSL, SERPINB1, CTSZ LOXL2 688/4885TRPA1 2553/4885DPP4 296/4885

“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.