SCHEMBL23055478

SCHEMBL23055478

CC(C)Nc1ccc2c(c1)/C(=C1\CN(C3CCOCC3)CCN1)C(=O)N2C1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
PDE7A Q13946 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL23055467 0.96 DDB1 (0.35) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055348 0.90 DDB1 (0.36) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055587 0.90 DDB1 (0.34) DDB1CRBNPDE7AALDH1A1
SCHEMBL23055675 0.88 KDM4E (0.35) DDB1CRBNPDE7AKDM4EALDH1A1
SCHEMBL23055564 0.86 DDB1 (0.40) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055579 0.86 DDB1 (0.38) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055523 0.86 DDB1 (0.38) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055540 0.85 DDB1 (0.38) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055595 0.85 DDB1 (0.38) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL23055378 0.81 DDB1 (0.38) 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 2685/4885PDE7A 1653/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 DDB1 1840/4885CRBN 2685/4885PDE7A 1653/4885

“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.