SCHEMBL16017694

SCHEMBL16017694

O=C1c2ccccc2CN1CC1NCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.49
SLC22A1 O15245 1/20 0.49
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
OPRM1 P35372 11/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
MAPT P10636 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
SCHEMBL23959359 0.83 KDM4E (0.43) KEAP1NFE2L2KDM4EALOX15TSHR
SCHEMBL24174302 0.83 KDM4E (0.43) KEAP1NFE2L2KDM4EALOX15TSHR
SCHEMBL30422185 0.83 KDM4E (0.43) KEAP1NFE2L2KDM4EALOX15TSHR
SCHEMBL30952112 0.82 PRCP (0.52) PRCPSLC22A1KEAP1NFE2L2OPRM1
SCHEMBL9913091 0.82 PRCP (0.52) PRCPSLC22A1KEAP1NFE2L2OPRM1
SCHEMBL14933933 0.82 PRCP (0.52) PRCPSLC22A1KEAP1NFE2L2OPRM1
SCHEMBL24175264 0.77 KDM4E (0.40) KEAP1NFE2L2OPRM1KDM4ESMN1; SMN2
SCHEMBL23959358 0.77 KDM4E (0.40) KEAP1NFE2L2OPRM1KDM4ESMN1; SMN2
SCHEMBL30422426 0.77 KDM4E (0.40) KEAP1NFE2L2OPRM1KDM4ESMN1; SMN2
SCHEMBL25264952 0.76 KDM4E (0.39) KEAP1NFE2L2KDM4EALOX15TSHR

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
US-10106502-B2 Direct inhibitors of Keap1-Nrf2 interaction as antioxidant inflammation modulators RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-10-23 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 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 (3 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-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 PRCP 2778/4885SLC22A1 2616/4885KEAP1 1/4885
US-10106502-B2 Direct inhibitors of Keap1-Nrf2 interaction as antioxidant inflammation modulators KEAP1, NFE2L2, HMOX1 PRCP 2778/4885SLC22A1 2616/4885KEAP1 1/4885
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 PRCP 2778/4885SLC22A1 2616/4885KEAP1 1/4885

“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.