SCHEMBL17005443

SCHEMBL17005443

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
GBA1 P04062 1/20 0.39
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
DRD4 P21917 1/20 0.38
DRD1 P21728 2/20 0.37
LMNA P02545 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
SCHEMBL21966300 0.85 DRD2 (0.41) SIGMAR1MAPTDRD2DRD3DRD1
SCHEMBL1319604 0.85 DRD2 (0.41) SIGMAR1MAPTDRD2DRD3DRD1
SCHEMBL31049497 0.85 DRD2 (0.41) SIGMAR1MAPTDRD2DRD3DRD1
SCHEMBL31024630 0.85 DRD2 (0.41) SIGMAR1MAPTDRD2DRD3DRD1
SCHEMBL15872554 0.83 SIGMAR1 (0.37) SIGMAR1GBA1MAPTDRD2DRD3
SCHEMBL31024632 0.83 DRD4 (0.41) SIGMAR1DRD4
SCHEMBL17894245 0.81 MGAM (0.38) SIGMAR1GBA1DRD2DRD3
SCHEMBL15877751 0.81 MGAM (0.38) SIGMAR1GBA1DRD2DRD3
SCHEMBL31409894 0.81 MGAM (0.38) SIGMAR1GBA1DRD2DRD3
SCHEMBL22034017 0.80 MAPT (0.52) SIGMAR1GBA1MAPTDRD2DRD3

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
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
EP-2933248-A1 NOVEL RENIN INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2015-10-21 EP disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 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-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE SIGMAR1 999/4885GBA1 2827/4885VEGFA 3257/4885

“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.