SCHEMBL21880959

SCHEMBL21880959

CCCCC(C)(C)CN1CCN(C)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 3/20 0.34
GNAI3 P08754 2/20 0.34
GNAI1 P63096 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
RECQL P46063 1/20 0.32
USP2 O75604 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PAOX Q6QHF9 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL21653957 0.94 GNAO1 (0.37) GNAO1GNAI3GNAI1HTTNPC1
SCHEMBL24335467 0.92 GNAO1 (0.40) GNAO1GNAI3GNAI1HTTNPC1
SCHEMBL19230337 0.88 HTT (0.36) HTTRAB9ACHRM2CHRM4CHRM5
SCHEMBL21653951 0.84 GNAO1 (0.38) GNAO1GNAI3GNAI1HTTNPC1
SCHEMBL21119148 0.83 LTA4H (0.33) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL22031195 0.82
SCHEMBL18852718 0.81 GNAI3 (0.36) GNAO1GNAI3GNAI1HTTNPC1
SCHEMBL26014660 0.80 NPC1 (0.35) GNAO1GNAI3GNAI1NPC1RAB9A
SCHEMBL19261719 0.80 SIGMAR1 (0.39) GNAO1GNAI3GNAI1HTTALDH1A1
SCHEMBL24123133 0.79 GNAO1 (0.42) GNAO1GNAI3GNAI1HTTNPC1

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-10981926-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 US disclosed
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-04-09 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 (2 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-10981926-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 GNAO1 366/4885GNAI3 505/4885GNAI1 459/4885
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 GNAO1 366/4885GNAI3 505/4885GNAI1 459/4885

“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.