SCHEMBL6580226

SCHEMBL6580226

CC(C)CCCN1CCC(N)C(O)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.50
EBP Q15125 1/20 0.38
GLB1 P16278 1/20 0.37
GUSB P08236 2/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
OPRL1 P41146 1/20 0.33
CYP19A1 P11511 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL24913115 0.79 GNAI3 (0.46) GBA1GNAI3GNAO1GNAI1OPRL1
SCHEMBL17574694 0.79 GBA1 (0.47) GBA1HRH2HRH1
SCHEMBL26012973 0.79 GBA1 (0.47) GBA1HRH2HRH1
SCHEMBL19958437 0.79 GBA1 (0.47) GBA1HRH2HRH1
SCHEMBL4144334 0.77 GNAI3 (0.56) GBA1GNAI3GNAO1GNAI1OPRL1
SCHEMBL11932479 0.77 GBA1 (0.49) GBA1OPRL1SIGMAR1HRH2HRH1
SCHEMBL18033870 0.74 SMN1; SMN2 (0.42) GBA1GLB1GUSBGNAI3GNAO1
SCHEMBL23491191 0.74 SMN1; SMN2 (0.42) GBA1GLB1GUSBGNAI3GNAO1
SCHEMBL24428913 0.74 GBA1 (0.42) GBA1SIGMAR1HRH2HRH1
SCHEMBL17574727 0.73 SIGMAR1 (0.47) GBA1SIGMAR1

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 GBA1 161/4885EBP 1660/4885GLB1 531/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL GBA1 1394/4885EBP 575/4885GLB1 2155/4885

“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.