SCHEMBL6580449

SCHEMBL6580449

CC(C)C[C@H](N)C(=O)NCC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 1/20 0.46
GBA1 P04062 1/20 0.45
FUCA1 P04066 2/20 0.45
LARS1 Q9P2J5 1/20 0.41
BCHE P06276 2/20 0.41
DRD2 P14416 8/20 0.40
DRD4 P21917 8/20 0.40
DRD3 P35462 8/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Hydrochloric Acid SCHEMBL6580455 0.81 CTSK (0.47) GBA1FUCA1LARS1
Hydrochloric Acid SCHEMBL27483445 0.81 CTSK (0.47) GBA1FUCA1LARS1
SCHEMBL17152346 0.80 NPFFR2 (0.60) NPFFR2BCHEDRD2DRD4DRD3
SCHEMBL17152556 0.79 DRD4 (0.50) NPFFR2DRD2DRD4DRD3LMNA
SCHEMBL17152426 0.79 BCHE (0.56) NPFFR2BCHEDRD2DRD4DRD3
SCHEMBL5026745 0.77 ARG1 (0.41) LARS1
SCHEMBL4450666 0.77 ARG1 (0.41) LARS1
SCHEMBL6580315 0.76 UTS2R (0.54) RAB9ASMN1; SMN2
SCHEMBL4689695 0.76 ALDH1A1 (0.47) BCHE
SCHEMBL7425826 0.76 ALDH1A1 (0.47) BCHE

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
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US disclosed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
EP-0936912-A4 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 1999-10-13 EP disclosed
EP-0936912-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-08-25 EP disclosed
WO-1998005336-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO 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 (2 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-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS NPFFR2 4073/4885GBA1 161/4885FUCA1 302/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL NPFFR2 2421/4885GBA1 1394/4885FUCA1 3118/4885

“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.