SCHEMBL696495

SCHEMBL696495

CCOC(=O)CNc1cccc(OC(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
GRK2 P25098 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.45
IDH1 O75874 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SYK P43405 1/20 0.45
P2RX1 P51575 1/20 0.44
FLT1 P17948 2/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.43
KDR P35968 1/20 0.42

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
SCHEMBL23916262 0.83 HTT (0.52) POLBGRK2NPC1RAB9AMAPT
SCHEMBL29860059 0.83 MTNR1B (0.58) POLBGRK2NPC1RAB9AMAPT
SCHEMBL1321969 0.83 MTNR1B (0.58) POLBGRK2NPC1RAB9AMAPT
SCHEMBL3052619 0.83 POLB (1.00) POLBNPC1RAB9AMAPTIDH1
SCHEMBL11355645 0.83 POLB (0.55) POLBNPC1MAPTIDH1ALDH1A1
SCHEMBL3611216 0.82 ALDH1A1 (0.50) POLBGRK2NPC1RAB9AMAPT
SCHEMBL27721938 0.81 MTNR1B (0.59) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL696485 0.81 IDH1 (0.62) POLBGRK2MAPTIDH1ALDH1A1
SCHEMBL8819532 0.79 POLB (0.52) POLBGRK2NPC1RAB9AMAPT
SCHEMBL29860111 0.79 MAPT (0.53) POLBGRK2MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 POLB 3726/4885GRK2 3977/4885NPC1 996/4885

“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.