SCHEMBL23919190

SCHEMBL23919190

CC(C)(C)CCN1CCC(CNC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 11/20 0.49
KCNH2 Q12809 9/20 0.49
GNAO1 P09471 2/20 0.35
GNAI3 P08754 1/20 0.35
GNAI1 P63096 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
CACNA1H O95180 1/20 0.34
CYP2D6 P10635 1/20 0.34
CACNA1G O43497 1/20 0.33
CHRM2 P08172 1/20 0.33
HRH1 P35367 1/20 0.33
HTR4 Q13639 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL19258375 0.85 CACNA1I (0.46) CACNA1IKCNH2GNAO1GNAI3GNAI1
SCHEMBL14768720 0.82 GNAI3 (0.38) CACNA1IKCNH2GNAO1GNAI3GNAI1
SCHEMBL10246565 0.82 GNAI3 (0.38) CACNA1IKCNH2GNAO1GNAI3GNAI1
SCHEMBL21214167 0.82 GNAI3 (0.51) CACNA1IKCNH2GNAO1GNAI3GNAI1
SCHEMBL19248417 0.81 CACNA1I (0.51) CACNA1IKCNH2GNAO1GNAI3GNAI1
SCHEMBL14614920 0.81 GNAO1 (0.47) KCNH2GNAO1GNAI3GNAI1EPHX1
SCHEMBL10245112 0.79 EPHX1 (0.41) CACNA1IKCNH2GNAO1GNAI3GNAI1
SCHEMBL4569282 0.79 NCF1 (0.46) GNAO1GNAI3GNAI1
SCHEMBL23919061 0.79 CACNA1I (0.44) CACNA1IKCNH2GNAO1OPRM1OPRL1
SCHEMBL19958952 0.78 KCNH2 (0.52) CACNA1IKCNH2GNAO1GNAI3GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2023-03-30 US disclosed
US-20210315896-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2021-10-14 US 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-20210315896-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 CACNA1I 4058/4885KCNH2 4503/4885GNAO1 2111/4885
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 CACNA1I 4058/4885KCNH2 4503/4885GNAO1 2111/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN CACNA1I 4452/4885KCNH2 4712/4885GNAO1 1639/4885

“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.