SCHEMBL21880995

SCHEMBL21880995

CCCCC(C)(CC)OC1CCN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.37
GNAO1 P09471 4/20 0.37
GNAI1 P63096 4/20 0.37
MLNR O43193 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL21881668 0.90 GNAO1 (0.40) GNAI3GNAO1GNAI1MLNRCHRM2
SCHEMBL26504917 0.78 HRH3 (0.38) GNAO1
SCHEMBL21166176 0.78 PDE4A (0.31)
SCHEMBL21881661 0.77 GNAO1 (0.44) GNAI3GNAO1GNAI1MLNRCHRM2
SCHEMBL21214459 0.75 CHRM3 (0.35) GNAI3GNAO1GNAI1MLNRCHRM2
SCHEMBL19525523 0.75 GNAI3 (0.35) GNAI3GNAO1GNAI1
SCHEMBL18995658 0.75 TP53 (0.34) HRH1
SCHEMBL21579250 0.74 CHRM3 (0.36) GNAI3GNAO1GNAI1MLNRCHRM2
SCHEMBL21880925 0.72 GNAO1 (0.37) GNAI3GNAO1GNAI1CHRM1
SCHEMBL18995711 0.71 GNAO1 (0.38) GNAI3GNAO1GNAI1

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 GNAI3 505/4885GNAO1 366/4885GNAI1 459/4885
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 GNAI3 505/4885GNAO1 366/4885GNAI1 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.