SCHEMBL25501667

SCHEMBL25501667

CN1CCCC(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.51
CACNA1B Q00975 1/20 0.51
CACNB1 Q02641 1/20 0.51
CACNA1C Q13936 1/20 0.51
CYP2D6 P10635 2/20 0.50
HTT P42858 1/20 0.50
CHRM3 P20309 4/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.46
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
MC4R P32245 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL10681729 0.83 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6
SCHEMBL14607859 0.82 CACNA2D1 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6
SCHEMBL4255830 0.78 CHRM2 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6
SCHEMBL11404734 0.78 CHRNB4 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14431944 0.77 CYP2D6 (0.47) CYP2D6HTTCHRM3CHRM2CHRM1
SCHEMBL10102680 0.77 BRD4 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6
SCHEMBL7649204 0.76 ALDH1A1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6
SCHEMBL6650399 0.75 GAA (0.55) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL15873681 0.75 GAA (0.50) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1248051 0.73 IDO1 (0.57) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146127-A1 3-DIARYLMETHYLENES AND USES THEREOF ATUX ISKAY LLC 2023-05-11 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 (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-20230146127-A1 3-DIARYLMETHYLENES AND USES THEREOF MYC, MYCBP, FOXO1 CACNA2D1 3089/4885CACNA1B 3653/4885CACNB1 3434/4885

“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.