SCHEMBL17881995

SCHEMBL17881995

O[C@H]1CCN[C@@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.55
SLC18A3 Q16572 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
TSHR P16473 1/20 0.46
TACR1 P25103 1/20 0.39
AGL P35573 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 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
SCHEMBL17870963 1.00 GBA1 (0.55) GBA1SLC18A3SIGMAR1TSHRTACR1
SCHEMBL13966629 1.00 GBA1 (0.55) GBA1SLC18A3SIGMAR1TSHRTACR1
SCHEMBL13966630 1.00 GBA1 (0.55) GBA1SLC18A3SIGMAR1TSHRTACR1
SCHEMBL6248843 0.88 GBA1 (0.52) GBA1SLC18A3SIGMAR1TSHRTACR1
SCHEMBL8108717 0.88 GBA1 (0.52) GBA1SLC18A3SIGMAR1TSHRTACR1
SCHEMBL7919080 0.88 GBA1 (0.52) GBA1SLC18A3SIGMAR1TSHRTACR1
SCHEMBL9205719 0.88 GBA1 (0.52) GBA1SLC18A3SIGMAR1TSHRTACR1
SCHEMBL31469245 0.78 GBA1 (0.77) GBA1SLC18A3SIGMAR1TSHRMEN1
SCHEMBL17881901 0.78 GBA1 (0.77) GBA1SLC18A3SIGMAR1TSHRMEN1
SCHEMBL19471082 0.78 GBA1 (0.77) GBA1SLC18A3SIGMAR1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11478438-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2022-10-25 US disclosed
CN-107108492-B Cell necrosis inhibitor 北京生命科学研究所 2021-03-19 CN disclosed
US-20200182617-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-06-11 US disclosed
US-20200182617-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-06-11 US disclosed
US-10555920-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-11 US disclosed
US-10555920-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-11 US disclosed
US-20190038578-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-02-07 US disclosed
US-20190038578-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-02-07 US disclosed
US-10092529-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-10-09 US disclosed
US-20170304237-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-26 US disclosed
US-20170304237-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-26 US disclosed
WO-2016101887-A1 NECROSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2016-06-30 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 (5 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-20170304237-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 GBA1 2077/4885SLC18A3 4885/4885SIGMAR1 1517/4885
US-11478438-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 GBA1 2337/4885SLC18A3 4882/4885SIGMAR1 1782/4885
US-20190038578-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 GBA1 2337/4885SLC18A3 4882/4885SIGMAR1 1782/4885
US-10092529-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 GBA1 2077/4885SLC18A3 4885/4885SIGMAR1 1517/4885
US-10555920-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 GBA1 2337/4885SLC18A3 4882/4885SIGMAR1 1782/4885

“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.