SCHEMBL19230301

SCHEMBL19230301

CCC(C)(CC)CN1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
MC4R P32245 1/20 0.34
PAOX Q6QHF9 1/20 0.32
LMNA P02545 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
CHKA P35790 1/20 0.31
HTR1A P08908 1/20 0.30
PHGDH O43175 1/20 0.30
MGLL Q99685 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 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
SCHEMBL18852718 0.86 GNAI3 (0.36) HTTALDH1A1KDM4EMAPTRECQL
SCHEMBL19255824 0.85 POLB (0.37) ALDH1A1KDM4EMAPT
SCHEMBL21880941 0.84 HTT (0.36) HTTALDH1A1KDM4EMAPTRECQL
SCHEMBL22318014 0.83 GNAO1 (0.41) HTTALDH1A1PAOXGNAI3GNAO1
SCHEMBL22648503 0.83 GNAO1 (0.41) HTTALDH1A1PAOXGNAI3GNAO1
SCHEMBL14420950 0.83 HTT (0.38) HTTALDH1A1KDM4EMAPTRECQL
SCHEMBL18799740 0.81 RAB9A (0.38) HTTALDH1A1KDM4EMAPTMC4R
SCHEMBL18823850 0.81
SCHEMBL21653951 0.81 GNAO1 (0.38) HTTALDH1A1KDM4EMAPTRECQL
SCHEMBL19506632 0.80 HRH3 (0.35) ALDH1A1

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 4 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
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2018-06-19 US disclosed
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 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 (4 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 1578/4885ALDH1A1 350/4885KDM4E 2980/4885
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, NR5A1 HTT 1578/4885ALDH1A1 350/4885KDM4E 2980/4885
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 HTT 1578/4885ALDH1A1 350/4885KDM4E 2980/4885
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 HTT 1578/4885ALDH1A1 350/4885KDM4E 2980/4885

“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.