SCHEMBL20415341

SCHEMBL20415341

CN1CCN(C/C(=C\c2ccc(Cl)cc2)C(=O)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
CHRM1 P11229 1/20 0.45
GAA P10253 1/20 0.43
HTR1A P08908 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.41
DRD4 P21917 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
SCHEMBL20415259 0.89 OPRK1 (0.46) OPRK1SMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL20415346 0.88 NTSR1 (0.45) OPRK1HPGDMAPTALDH1A1CES2
SCHEMBL20415215 0.87 DRD2 (0.42) OPRK1SMN1; SMN2ALDH1A1TDP1DRD4
SCHEMBL20415250 0.85 SMN1; SMN2 (0.47) OPRK1SMN1; SMN2MAPTHTR1AALDH1A1
SCHEMBL20415216 0.82 OPRK1 (0.56) OPRK1SMN1; SMN2MAPTCHRM1HTR1A
SCHEMBL20415165 0.77 HPGD (0.53) SMN1; SMN2HPGDMAPTCHRM1GAA
SCHEMBL29073232 0.76 CES2 (0.55) SMN1; SMN2MAPTALDH1A1CES2CES1
SCHEMBL11099529 0.75 CA12 (0.48) SMN1; SMN2MAPTALDH1A1TDP1CES2
SCHEMBL20415230 0.74 CES2 (0.53) SMN1; SMN2MAPTALDH1A1CES2CES1
SCHEMBL20415256 0.74 EGFR (0.49) SMN1; SMN2MAPTGAAALDH1A1CES2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2415/4885SMN1; SMN2 4437/4885HPGD 2809/4885

“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.