SCHEMBL20425643

SCHEMBL20425643

CCOC(=O)N1C2CCC1c1cc(Br)ccc1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
TDP2 O95551 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
GRM5 P41594 1/20 0.37
POLB P06746 1/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
TERT O14746 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL2062840 0.85 GRM5 (0.37) CYP1A2MEN1KMT2AGRM5AKR1C3
SCHEMBL20425561 0.84 TSHR (0.45) MEN1KMT2AGRM5POLBCHRM1
SCHEMBL884784 0.83 CHRM1 (0.42) ALDH1A1MEN1KMT2AGRM5POLB
SCHEMBL20425573 0.80 GRM5 (0.36) MEN1KMT2AGRM5POLBAKR1C3
SCHEMBL20440046 0.77 ALDH1A1 (0.42) OPRM1ALDH1A1KMT2AMAPK1OPRD1
SCHEMBL20425610 0.77 ALDH1A1 (0.42) OPRM1ALDH1A1KMT2AMAPK1OPRD1
SCHEMBL20425657 0.76 SMN1; SMN2 (0.37) OPRM1KMT2AMAPK1POLBOPRD1
SCHEMBL20439674 0.76 SMN1; SMN2 (0.37) OPRM1KMT2AMAPK1POLBOPRD1
SCHEMBL20425562 0.76 SMN1; SMN2 (0.37) OPRM1KMT2AMAPK1POLBOPRD1
SCHEMBL20425617 0.76 FAAH (0.39) OPRM1MEN1KMT2AOPRD1OPRK1

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-20220048884-A1 NRF2 ACTIVATOR BIOGEN MA INC. 2022-02-17 US disclosed
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 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-20220048884-A1 NRF2 ACTIVATOR NFE2L2, KEAP1, NQO1 OPRM1 1723/4885TDP2 3980/4885CYP1A2 287/4885

“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.