SCHEMBL694465

SCHEMBL694465

c1ccc2c(C3CCOO3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KDM1A O60341 1/20 0.44
DRD2 P14416 1/20 0.39
PLA2G6 O60733 3/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
BLM P54132 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
FAAH O00519 1/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPC5 Q9UL62 1/20 0.38

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
SCHEMBL27993663 0.90 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL5699413 0.79 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL2321092 0.79 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL30473345 0.75 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL5852684 0.75 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL10300820 0.75 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL2464189 0.75 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KDM1ADRD2
SCHEMBL9796777 0.74 HTR2A (0.40) KDM1ALMNASMN1; SMN2TP53
SCHEMBL6184401 0.74 AR (0.41) ALDH1A1MAPTHPGDBLMNPSR1
SCHEMBL10643344 0.74 HTR2C (0.43) SLC6A4SLC6A2SLC6A3KDM1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102405211-B Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2015-01-21 CN claimed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US claimed
CN-102405211-A Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2012-04-04 CN claimed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP claimed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO claimed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US claimed
CN-102405211-B Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2015-01-21 CN disclosed
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
CN-102405211-A Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2012-04-04 CN 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 SLC6A4 985/4885SLC6A2 1374/4885SLC6A3 1543/4885

“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.