SCHEMBL22019786

SCHEMBL22019786

CCC(C)c1cnn2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
KDM5B Q9UGL1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LRRK2 Q5S007 2/20 0.36
SSTR4 P31391 1/20 0.36
NLRP3 Q96P20 1/20 0.35
HTT P42858 1/20 0.35
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CDK1 P06493 2/20 0.32
CDK4 P11802 2/20 0.32
CCNA2 P20248 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
CCND3 P30281 2/20 0.32
CDK6 Q00534 2/20 0.32
POLQ O75417 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
SCHEMBL902531 0.83 KDM5B (0.41) DRD4DRD3KDM5BLRRK2SSTR4
SCHEMBL23109057 0.81 KDM5B (0.41) DRD4DRD3KDM5BLRRK2SSTR4
SCHEMBL14701579 0.78 CYP11B1 (0.41) DRD4DRD3KDM5BLRRK2SSTR4
SCHEMBL20053985 0.76 CYP11B2 (0.40) DRD4DRD3KDM5BLRRK2SSTR4
SCHEMBL10234967 0.73 DRD4 (0.49) DRD4DRD3KDM5BLRRK2SSTR4
SCHEMBL23114729 0.71 LRRK2 (0.46) DRD4DRD3KDM5BLRRK2SSTR4
SCHEMBL20053992 0.70 CYP11B1 (0.41) DRD4DRD3KDM5BLRRK2SSTR4
SCHEMBL12844157 0.70 DRD4 (0.47) DRD4DRD3KDM5BLRRK2SSTR4
Iodide SCHEMBL7949138 0.70 KDM5B (0.32) DRD4DRD3KDM5BSSTR4
SCHEMBL22480042 0.70 HTR2A (0.43) DRD4DRD3KDM4ESSTR4NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 DRD4 87/4885DRD3 111/4885KDM5B 726/4885

“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.