SCHEMBL20640924

SCHEMBL20640924

CC(C)(C)[Si](C)(C)OC1CC(=O)NC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35
BUB1 O43683 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TACR1 P25103 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
BRD4 O60885 6/20 0.33
P2RX7 Q99572 1/20 0.32
RIPK1 Q13546 1/20 0.32
TSHR P16473 2/20 0.32
CREBBP Q92793 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
SCHEMBL20645795 1.00 SMN1; SMN2 (0.35) SMN1; SMN2THRBBUB1KMT2AMEN1
SCHEMBL20640922 1.00 SMN1; SMN2 (0.35) SMN1; SMN2THRBBUB1KMT2AMEN1
SCHEMBL20640923 1.00 SMN1; SMN2 (0.35) SMN1; SMN2THRBBUB1KMT2AMEN1
SCHEMBL9165852 0.84 TP53 (0.36) SMN1; SMN2THRBBUB1KMT2AMEN1
SCHEMBL19471096 0.77 GBA1 (0.40) KMT2AMEN1TACR1CYP2D6TSHR
SCHEMBL9375970 0.75 CYP2D6 (0.35) SMN1; SMN2THRBBUB1KMT2AMEN1
SCHEMBL4189116 0.75 CYP2D6 (0.35) SMN1; SMN2THRBBUB1KMT2AMEN1
SCHEMBL1643792 0.74 BRD4 (0.31) BUB1BRD4CREBBP
SCHEMBL20854981 0.71 THRB (0.37) THRBBUB1KMT2AMEN1BRD4
SCHEMBL20645814 0.71 THRB (0.37) THRBBUB1KMT2AMEN1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613408-A Bicyclic ketone compounds and methods of use thereof 豪夫迈·罗氏有限公司 2025-03-14 CN disclosed
CN-110914271-B Bicyclic ketone compounds and methods of use thereof 豪夫迈·罗氏有限公司 2024-12-10 CN disclosed
US-20240300974-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2024-09-12 US disclosed
EP-4397309-A2 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2024-07-10 EP disclosed
EP-3652178-B1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2024-01-24 EP disclosed
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof GENENTECH, INC. (US) 2023-12-05 US disclosed
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof GENENTECH, INC. (US) 2023-12-05 US disclosed
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-05-13 US disclosed
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-05-13 US disclosed
US-10975095-B2 2021-04-13 US disclosed
EP-3652178-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2020-05-20 EP disclosed
CN-110914271-A Bicyclic ketone compounds and methods of use thereof 豪夫迈·罗氏有限公司 2020-03-24 CN disclosed
US-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-04-04 US disclosed
WO-2019012063-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2019-01-17 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-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 SMN1; SMN2 3876/4885THRB 2148/4885BUB1 843/4885
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 SMN1; SMN2 3876/4885THRB 2148/4885BUB1 843/4885
US-10975095-B2 CYP1B1, UGT1A1, CYP4B1 SMN1; SMN2 2816/4885THRB 3435/4885BUB1 1961/4885
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof HSD17B7, CYP11B1, CYP11B2 SMN1; SMN2 3876/4885THRB 2148/4885BUB1 843/4885
US-20240300974-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 SMN1; SMN2 3876/4885THRB 2148/4885BUB1 843/4885

“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.