SCHEMBL18152970

SCHEMBL18152970

COc1c(Br)cnc2c1CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
MAPT P10636 1/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
HTR2A P28223 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
SPR P35270 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL15883486 0.81 AGXT (0.39) GABRA1GABRG2GABRB3GABRA3MAPT
SCHEMBL25009513 0.79 ACHE (0.36) GABRA1GABRG2GABRB3GABRA3MAPT
SCHEMBL30271337 0.79 ACHE (0.36) GABRA1GABRG2GABRB3GABRA3MAPT
SCHEMBL23782827 0.77 KDM4E (0.36) MAPTGAAKDM4EALDH1A1
SCHEMBL17128341 0.75 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3MAPT
SCHEMBL19371157 0.75 SPR (0.34) GABRA1GABRG2GABRB3GABRA3MAPT
SCHEMBL29599945 0.73 PIN1 (0.35) GABRA1GABRG2GABRB3GABRA3MAPT
SCHEMBL15872798 0.73 PIN1 (0.35) GABRA1GABRG2GABRB3GABRA3MAPT
SCHEMBL9046924 0.72 ACHE (0.47) TSHRBCHEACHEGRIN1GRIN2A
SCHEMBL23782941 0.71 UGT2B17 (0.33) CA2CA4HTR2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 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 (3 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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 GABRA1 1657/4885GABRG2 2611/4885GABRB3 956/4885
US-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI GABRA1 4364/4885GABRG2 4151/4885GABRB3 4461/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI GABRA1 4364/4885GABRG2 4151/4885GABRB3 4461/4885

“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.