SCHEMBL19230281

SCHEMBL19230281

CN1CCC(OC(C)(C)N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CHRM3 P20309 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33

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
SCHEMBL1106464 0.81 HRH3 (0.37) NCF1HRH3CHRM1CHRM2HTR1A
SCHEMBL24089519 0.77 HRH3 (0.37) NCF1HRH3CHRM1CHRM2HTR1A
SCHEMBL17987083 0.74 HRH3 (0.36) NCF1HRH3CHRM1CHRM2HTR1A
SCHEMBL12395681 0.74 SMN1; SMN2 (0.34) NCF1HRH3CHRM1CHRM2HTR1A
SCHEMBL21579250 0.74 CHRM3 (0.36) NCF1HRH3CHRM1CHRM2HTR1A
SCHEMBL24616685 0.73 CA1 (0.36) —
SCHEMBL1106428 0.71 ALDH1A1 (0.34) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL21214459 0.71 CHRM3 (0.35) NCF1HRH3CHRM1CHRM2HTR1A
SCHEMBL2566320 0.70 — —
SCHEMBL12049732 0.69 HRH3 (0.42) NCF1HRH3CHRM1CHRM2HTR1A

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 NCF1 3141/4885HRH3 215/4885CHRM1 1939/4885
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 NCF1 3141/4885HRH3 215/4885CHRM1 1939/4885

“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.

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