SCHEMBL4699581

SCHEMBL4699581

N#CCNC(=O)C1CCCCN1c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSK P43235 11/20 0.43
CTSB P07858 8/20 0.43
CTSS P25774 8/20 0.43
MGLL Q99685 1/20 0.41
BACE1 P56817 1/20 0.41
CYP3A4 P08684 1/20 0.40
ERG P11308 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
AADAT Q8N5Z0 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
SCHEMBL4701895 0.89 CTSK (0.53) CTSKCTSBCTSSBACE1
SCHEMBL4701696 0.85 CTSK (0.46) CTSKCTSBCTSSBACE1
SCHEMBL4700127 0.83 CTSK (0.54) CTSKCTSBCTSS
SCHEMBL4701537 0.82 CTSK (0.49) CTSKCTSBCTSS
SCHEMBL4701545 0.82 CTSK (0.49) CTSKCTSBCTSS
SCHEMBL4698399 0.81 CTSS (0.52) CTSKCTSBCTSS
SCHEMBL4702512 0.81 CTSK (0.43) CTSKCTSBCTSS
SCHEMBL4702383 0.80 CTSK (0.55) CTSKCTSBCTSS
SCHEMBL4701147 0.80 CTSK (0.48) CTSKCTSBCTSS
SCHEMBL6207942 0.80 CTSK (0.58) CTSKCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP claimed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US claimed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US claimed
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CNR2 3113/4885CNR1 2559/4885CYP2C8 4082/4885

“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.