SCHEMBL694701

SCHEMBL694701

O=COC1(c2ccc(Cl)cc2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.44
SLC6A3 Q01959 9/20 0.44
HSD11B1 P28845 7/20 0.41
SLC6A2 P23975 2/20 0.41
HDAC4 P56524 1/20 0.41
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 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
SCHEMBL2318965 0.98 HDAC4 (0.42) SLC6A4SLC6A3HSD11B1SLC6A2HDAC4
SCHEMBL1795 0.94 HSD11B1 (0.39) SLC6A4SLC6A3HSD11B1SLC6A2HDAC4
SCHEMBL75311 0.90 HSD17B10 (0.38) SLC6A4SLC6A3HSD11B1HDAC4
SCHEMBL1807152 0.81 SLC6A3 (0.44) SLC6A4SLC6A3HSD11B1SLC6A2
SCHEMBL2861574 0.81 DRD3 (0.45) SLC6A4SLC6A3SLC6A2HDAC4
SCHEMBL4678558 0.79 SMN1; SMN2 (0.39)
SCHEMBL5276713 0.79 SLC6A3 (0.42) SLC6A4SLC6A3HSD11B1SLC6A2
SCHEMBL6792552 0.79 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2
SCHEMBL4735252 0.79 DRD3 (0.46) SLC6A4SLC6A3SLC6A2HDAC4
SCHEMBL4145354 0.76 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2

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 SLC6A4 985/4885SLC6A3 1543/4885HSD11B1 2456/4885

“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.