SCHEMBL23782865

SCHEMBL23782865

Nc1ccc2c(c1)c(CC1CC1)nn2C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
RET P07949 6/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP4F2 P78329 4/20 0.32
CYP4A11 Q02928 4/20 0.32
PDE8B O95263 1/20 0.32
TEAD1 P28347 1/20 0.30
TEAD4 Q15561 1/20 0.30
TEAD2 Q15562 1/20 0.30
HRH1 P35367 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
SCHEMBL23782822 0.86 MAPT (0.36) RXRARXRBRXRGRETALDH1A1
SCHEMBL21217456 0.82 RET (0.37) RXRARXRBRXRGRETALDH1A1
SCHEMBL14863556 0.81 ALDH1A1 (0.39) RXRARXRBRXRGRETALDH1A1
SCHEMBL21198696 0.81 CYP4F2 (0.39) RXRARXRBRXRGRETALDH1A1
SCHEMBL24610343 0.81 GAA (0.47) RXRARXRBRXRGRETALDH1A1
SCHEMBL29388171 0.81 ALDH1A1 (0.39) RXRARXRBRXRGRETALDH1A1
SCHEMBL21198529 0.81 GAA (0.47) RXRARXRBRXRGRETALDH1A1
SCHEMBL22889886 0.80 RET (0.40) RXRARXRBRXRGRETALDH1A1
SCHEMBL29644028 0.80 RET (0.40) RXRARXRBRXRGRETALDH1A1
SCHEMBL22890826 0.78 RXRA (0.37) RXRARXRBRXRGRETALDH1A1

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 5 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
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 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 (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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 RXRA 4749/4885RXRB 4685/4885RXRG 4739/4885

“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.