SCHEMBL21880925

SCHEMBL21880925

CCCCC(C)(CCCC)OC1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 15/20 0.37
GNAI3 P08754 14/20 0.37
GNAI1 P63096 14/20 0.37
CHRM1 P11229 1/20 0.34
EPHX1 P07099 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL21881665 0.96 GNAO1 (0.39) GNAO1GNAI3GNAI1CHRM1EPHX1
SCHEMBL21579334 0.94 GNAO1 (0.40) GNAO1GNAI3GNAI1CHRM1EPHX1
SCHEMBL19966917 0.93 GNAO1 (0.42) GNAO1GNAI3GNAI1EPHX1
SCHEMBL21880962 0.78 CNR1 (0.31)
SCHEMBL21881668 0.75 GNAO1 (0.40) GNAO1GNAI3GNAI1CHRM1
SCHEMBL19230311 0.74 ALDH1A1 (0.33)
SCHEMBL21166176 0.73 PDE4A (0.31)
SCHEMBL76964 0.72 HRH1 (0.35)
SCHEMBL21880995 0.72 GNAI3 (0.37) GNAO1GNAI3GNAI1CHRM1
SCHEMBL22109249 0.70 PDE4D (0.34)

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.