SCHEMBL23055378

SCHEMBL23055378

CC(C)Nc1ccc2c(c1)/C(=C1\CN(C(C)C)CCN1)C(=O)N2C1CCN(C(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL23055348 0.92 DDB1 (0.36) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055521 0.86 DDB1 (0.36) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055523 0.85 DDB1 (0.38) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055452 0.84 DDB1 (0.35) DDB1CRBN
SCHEMBL23055478 0.81 DDB1 (0.37) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055857 0.81 DDB1 (0.35) DDB1CRBNHRH3
SCHEMBL23055467 0.79 DDB1 (0.35) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055675 0.79 KDM4E (0.35) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055579 0.76 DDB1 (0.38) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055564 0.76 DDB1 (0.40) DDB1CRBNKDM4EALDH1A1HPGD

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-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-20210061761-A1 MODULATORS OF COMPLEX I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-04 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-20210061761-A1 MODULATORS OF COMPLEX I NDUFAB1, NDUFV1, NDUFB7 DDB1 1840/4885CRBN 2685/4885KDM4E 3049/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 DDB1 1840/4885CRBN 2685/4885KDM4E 3049/4885

“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.