SCHEMBL23055485

SCHEMBL23055485

CC(C)N1C(=O)/C(=C2/COCCN2)c2cc(NC3CCC(F)(F)CC3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
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
SCHEMBL23055408 0.91 PTGS2 (0.33) HRH3
SCHEMBL23055421 0.91 HRH3 (0.34) HRH3
SCHEMBL23055354 0.88 POLB (0.34) BRD4HRH3
SCHEMBL23055872 0.88 HRH3 (0.41) HRH3
SCHEMBL23055492 0.88 PRMT5 (0.33)
SCHEMBL23055364 0.86 MAPK13 (0.37) BRD4
SCHEMBL23055454 0.86 MAPK13 (0.37) BRD4
SCHEMBL23055370 0.85 PRMT5 (0.39) HRH3
SCHEMBL23055402 0.85 BRD4 (0.31) BRD4
SCHEMBL23055826 0.83 HRH3 (0.33) HRH3

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 BRD4 1246/4885HRH3 4750/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 BRD4 1246/4885HRH3 4750/4885

“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.