SCHEMBL894411

SCHEMBL894411

NCCCc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
IDO1 P14902 2/20 0.42
KIF11 P52732 1/20 0.40
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
TRAP1 Q12931 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAOB P27338 2/20 0.39
DAO P14920 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL14157106 0.89 TAAR1 (0.50) TAAR1IDO1SLC6A4SLC6A2TRAP1
SCHEMBL80680 0.83 TRPV1 (0.42) SLC6A4SLC6A2HTR2AKCNH2DAO
SCHEMBL80803 0.83 SIRT2 (0.42) IDO1SLC6A4SLC6A2TRAP1HSP90AA1
SCHEMBL3105504 0.83 GABRA2 (0.43) SLC6A4SLC6A2HTR2AKCNH2DAO
SCHEMBL856434 0.82 PNMT (0.43) TAAR1IDO1SLC6A4SLC6A2TRAP1
SCHEMBL3322996 0.81 SLC6A4 (0.39) IDO1SLC6A4SLC6A2TRAP1HSP90AA1
SCHEMBL138276 0.79 TAAR1 (0.43) TAAR1IDO1KIF11MAOBDAO
SCHEMBL25090301 0.79 SLC6A4 (0.41) IDO1SLC6A4SLC6A2TRAP1HSP90AA1
SCHEMBL25090457 0.79 SLC6A4 (0.41) IDO1SLC6A4SLC6A2TRAP1HSP90AA1
SCHEMBL2565147 0.79 CTSS (0.47) SLC6A4SLC6A2HTR2AKCNH2DAO

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-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2018-09-06 US disclosed
US-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 US disclosed
US-9040703-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2015-05-26 US disclosed
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2014-12-18 US disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 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 (4 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-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 TAAR1 1029/4885IDO1 260/4885KIF11 4586/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 TAAR1 1029/4885IDO1 260/4885KIF11 4586/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 TAAR1 1029/4885IDO1 260/4885KIF11 4586/4885
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 TAAR1 1029/4885IDO1 260/4885KIF11 4586/4885

“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.