SCHEMBL1319604

SCHEMBL1319604

CC[C@@H]1CO[C@H](CO)CN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.41
DRD3 P35462 9/20 0.41
DRD1 P21728 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL31024630 1.00 DRD2 (0.41) DRD2DRD3DRD1SIGMAR1MAPT
SCHEMBL21966300 1.00 DRD2 (0.41) DRD2DRD3DRD1SIGMAR1MAPT
SCHEMBL31049497 1.00 DRD2 (0.41) DRD2DRD3DRD1SIGMAR1MAPT
SCHEMBL15641002 0.89 DRD2 (0.35) DRD2DRD3DRD1SIGMAR1BRD4
SCHEMBL17005443 0.85 SIGMAR1 (0.44) DRD2DRD3DRD1SIGMAR1MAPT
SCHEMBL31024632 0.84 DRD4 (0.41) SIGMAR1BRD4
SCHEMBL2795742 0.83 MAPT (0.52) DRD2DRD3SIGMAR1MAPT
SCHEMBL15935483 0.83 MAPT (0.52) DRD2DRD3SIGMAR1MAPT
SCHEMBL22034017 0.83 MAPT (0.52) DRD2DRD3SIGMAR1MAPT
SCHEMBL2795738 0.83 MAPT (0.52) DRD2DRD3SIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315475-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-04-19 US disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-20140200197-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 DRD2 3916/4885DRD3 3989/4885DRD1 3640/4885
US-20140200197-A1 HIV PROTEASE INHIBITORS SERPINB1, PREP, PRSS1 DRD2 4539/4885DRD3 4157/4885DRD1 4247/4885

“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.