SCHEMBL23055417

SCHEMBL23055417

CC(Nc1ccc2c(c1)/C(=C1\COCCN1)C(=O)N2C(C)C)C1CCC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
DAPK3 O43293 1/20 0.30
ROCK2 O75116 1/20 0.30
CHEK2 O96017 1/20 0.30
PIM1 P11309 1/20 0.30
PLK1 P53350 1/20 0.30
ROCK1 Q13464 1/20 0.30
CDC42BPA Q5VT25 1/20 0.30
AURKB Q96GD4 1/20 0.30
PLK3 Q9H4B4 1/20 0.30
MAPKAPK2 P49137 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
SCHEMBL23055351 0.98 DAPK3 (0.32) DDB1CRBNDAPK3ROCK2CHEK2
SCHEMBL23055487 0.96 DDB1 (0.31) DDB1CRBN
SCHEMBL23055870 0.89 DDB1 (0.35) DDB1CRBN
SCHEMBL23055408 0.87 PTGS2 (0.33)
SCHEMBL23055641 0.86 DDB1 (0.32) DDB1CRBN
SCHEMBL23055367 0.85
SCHEMBL23055421 0.85 HRH3 (0.34)
SCHEMBL23055841 0.85 DDB1 (0.32) DDB1CRBNDAPK3ROCK2CHEK2
SCHEMBL23055394 0.84 IKZF2 (0.30)
SCHEMBL23055415 0.84 ALDH1A1 (0.30)

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 2685/4885DAPK3 3269/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 DDB1 1840/4885CRBN 2685/4885DAPK3 3269/4885

“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.