SCHEMBL19230264

SCHEMBL19230264

CCC(C)(C)c1cnc(OC2CCNCC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.37
IRAK4 Q9NWZ3 3/20 0.36
HRH1 P35367 4/20 0.36
ROCK1 Q13464 3/20 0.34
CHRM1 P11229 1/20 0.34
IKBKB O14920 2/20 0.33
ROCK2 O75116 2/20 0.33
CDC42BPB Q9Y5S2 2/20 0.33
EP300 Q09472 1/20 0.33
PAICS P22234 1/20 0.32
CHUK O15111 1/20 0.32
CDC42BPA Q5VT25 1/20 0.31
AR P10275 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
SCHEMBL19230168 0.84 HRH1 (0.40) ACACBIRAK4HRH1ROCK1IKBKB
SCHEMBL942192 0.78 HRH1 (0.40) IRAK4HRH1ROCK1CHRM1IKBKB
Hydrochloric Acid SCHEMBL2773745 0.77 HRH1 (0.39) IRAK4HRH1ROCK1CHRM1IKBKB
Hydrochloric Acid SCHEMBL2776816 0.77 HTR2C (0.42) IRAK4HRH1IKBKBAR
SCHEMBL29003859 0.76 HRH1 (0.43) IRAK4HRH1ROCK1IKBKBROCK2
SCHEMBL940760 0.73 HRH1 (0.43) IRAK4HRH1ROCK1IKBKBROCK2
SCHEMBL27571710 0.73 HRH1 (0.43) IRAK4HRH1ROCK1IKBKBROCK2
SCHEMBL26151646 0.72 ACACB (0.40) ACACB
SCHEMBL24529783 0.72 HRH1 (0.40) IRAK4HRH1ROCK1IKBKBROCK2
SCHEMBL19145035 0.72 HRH1 (0.40) IRAK4HRH1ROCK1IKBKBROCK2

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-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 (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-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, NR5A1 ACACB 3088/4885IRAK4 3869/4885HRH1 231/4885
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 ACACB 3088/4885IRAK4 3869/4885HRH1 231/4885

“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.