SCHEMBL21880941

SCHEMBL21880941

CCCC(C)(CCC)CN1CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
MC4R P32245 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21653951 0.88 GNAO1 (0.38) HTTKDM4EALDH1A1MAPTRECQL
SCHEMBL22648461 0.84 GNAO1 (0.43) HTTALDH1A1GNAI3GNAO1GNAI1
SCHEMBL25044308 0.84 GNAO1 (0.43) HTTALDH1A1GNAI3GNAO1GNAI1
SCHEMBL19230301 0.84 HTT (0.39) HTTKDM4EALDH1A1MAPTRECQL
SCHEMBL21120419 0.83 GNAO1 (0.42) HTTALDH1A1GNAI3GNAO1GNAI1
SCHEMBL24123133 0.83 GNAO1 (0.42) HTTALDH1A1GNAI3GNAO1GNAI1
SCHEMBL19200868 0.83 RAB9A (0.37) KDM4EALDH1A1MAPTGNAI3GNAO1
SCHEMBL19230337 0.83 HTT (0.36) HTTKDM4EALDH1A1MAPTRECQL
SCHEMBL18852718 0.80 GNAI3 (0.36) HTTKDM4EALDH1A1MAPTRECQL
SCHEMBL20332371 0.80 ALDH1A1 (0.33) HTTKDM4EALDH1A1

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 HTT 1578/4885KDM4E 2980/4885ALDH1A1 350/4885
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 HTT 1578/4885KDM4E 2980/4885ALDH1A1 350/4885

“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.