SCHEMBL20415259

SCHEMBL20415259

O=C(/C(=C/c1ccc(Cl)cc1)CN1CCCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
NTSR1 P30989 1/20 0.43
UTS2R Q9UKP6 2/20 0.43
MAOB P27338 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL20415346 0.99 NTSR1 (0.45) OPRK1CES2CES1ALDH1A1KDM4E
SCHEMBL20415341 0.89 OPRK1 (0.48) OPRK1CES2CES1ALDH1A1POLB
SCHEMBL20415250 0.89 SMN1; SMN2 (0.47) OPRK1ALDH1A1LMNAPOLBMAOB
SCHEMBL29293667 0.83 OPRK1 (0.41) OPRK1ALDH1A1KDM4ELMNAPOLB
SCHEMBL20415216 0.83 OPRK1 (0.56) OPRK1ALDH1A1LMNAMAPTCYP1A2
SCHEMBL29073232 0.79 CES2 (0.55) CES2CES1ALDH1A1LMNAPOLB
SCHEMBL11099529 0.78 CA12 (0.48) CES2CES1ALDH1A1LMNAMAOB
SCHEMBL20415171 0.78 HPGD (0.46) OPRK1ALDH1A1KDM4ELMNAPOLB
SCHEMBL20415230 0.77 CES2 (0.53) CES2CES1ALDH1A1KDM4ELMNA
SCHEMBL20415215 0.77 DRD2 (0.42) OPRK1ALDH1A1KMT2AMEN1SMN1; SMN2

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
EP-4397652-A2 3-(PHENYL)-2-(AMINOMETHYL)-1-PHENYL-2-PROPEN-1-ONE DERIVATIVES AS INHIBITORS OF THE N-TERMINAL DOMAIN OF THE ANDROGEN RECEPTOR FOR TREATING PROSTATE CANCER The Regents of the University of California (US) 2024-07-10 EP disclosed
US-20220177418-A1 INHIBITORS OF THE N-TERMINAL DOMAIN OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-09 US disclosed
WO-2020205470-A1 INHIBITORS OF THE N-TERMINAL DOMAIN OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-08 WO disclosed
WO-2018136792-A1 INHIBITORS OF THE N-TERMINAL DOMAIN OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-26 WO 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 (1 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-20220177418-A1 INHIBITORS OF THE N-TERMINAL DOMAIN OF THE ANDROGEN RECEPTOR AR, BRDT, NR5A1 OPRK1 2415/4885CES2 3591/4885CES1 1595/4885

“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.