SCHEMBL23055993

SCHEMBL23055993

Nc1ccc2c(c1)/C(=C1\COCCN1)C(=O)N2C1COC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL23055888 0.97 DDB1 (0.30) DDB1CRBN
SCHEMBL23055524 0.93 DDB1 (0.31) DDB1CRBNALDH1A1CASP1CASP7
SCHEMBL23055427 0.90 BACE1 (0.33) DDB1CRBNALDH1A1CASP1CASP7
SCHEMBL23055565 0.89
SCHEMBL23055559 0.89
SCHEMBL23055546 0.89 ALDH1A1 (0.32) DDB1CRBNALDH1A1CASP1CASP7
SCHEMBL23055892 0.87 HTR3E (0.34) DDB1CRBNALDH1A1CASP1CASP7
SCHEMBL23055389 0.84 ALDH1A1 (0.33) DDB1CRBNALDH1A1CASP1CASP7
SCHEMBL23055517 0.83 CASP1 (0.36) DDB1CRBNALDH1A1CASP1CASP7
SCHEMBL23055886 0.81 NR1H2 (0.45) ALDH1A1CASP1CASP7HSD17B10NR1H2

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 2685/4885ALDH1A1 1006/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 DDB1 1840/4885CRBN 2685/4885ALDH1A1 1006/4885

“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.