SCHEMBL17870944

SCHEMBL17870944

CC(C)(C)[Si](C)(C)O[C@@H]1CN[C@H](c2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.34
PRCP P42785 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NOS1 P29475 2/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2912280 1.00 BUB1 (0.34) BUB1PRCPMEN1KMT2ANOS1
SCHEMBL19512616 1.00 BUB1 (0.34) BUB1PRCPMEN1KMT2ANOS1
SCHEMBL25053491 0.86 CHRNB2 (0.33) BUB1PRCPMEN1KMT2ASLC6A2
SCHEMBL29891891 0.86 CHRNB2 (0.33) BUB1PRCPMEN1KMT2ASLC6A2
SCHEMBL17514153 0.86 CHRNA7 (0.33) SLC6A2SLC6A3
SCHEMBL451170 0.84 HTR2A (0.35) KMT2ASLC6A2HTR2BSLC6A3
SCHEMBL433152 0.84 HTR2A (0.35) KMT2ASLC6A2HTR2BSLC6A3
SCHEMBL431587 0.84 HTR2A (0.35) KMT2ASLC6A2HTR2BSLC6A3
SCHEMBL5770510 0.81 HTR2C (0.35) BUB1MEN1KMT2ASLC6A2HTR2B
SCHEMBL5770518 0.81 HTR2C (0.35) BUB1MEN1KMT2ASLC6A2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof GENENTECH, INC. (US) 2023-12-05 US disclosed
US-11478438-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2022-10-25 US disclosed
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-05-13 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-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-10092529-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-10-09 US disclosed
EP-3224245-A1 NECROSIS INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2017-10-04 EP 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 (6 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-11478438-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 BUB1 1654/4885PRCP 4720/4885MEN1 3176/4885
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 BUB1 843/4885PRCP 3262/4885MEN1 965/4885
US-20190038578-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 BUB1 1654/4885PRCP 4720/4885MEN1 3176/4885
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof HSD17B7, CYP11B1, CYP11B2 BUB1 843/4885PRCP 3262/4885MEN1 965/4885
US-10092529-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 BUB1 2716/4885PRCP 4691/4885MEN1 3275/4885
US-10555920-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 BUB1 1654/4885PRCP 4720/4885MEN1 3176/4885

“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.