SCHEMBL23055552

SCHEMBL23055552

CC(C)N1C(=O)/C(=C2/CCCCN2)c2cc(N)ccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ATAD2 Q6PL18 1/20 0.33
ANPEP P15144 1/20 0.32
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
BRD4 O60885 1/20 0.30
BRDT Q58F21 1/20 0.30
CREBBP Q92793 1/20 0.30
CECR2 Q9BXF3 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
BRD7 Q9NPI1 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL23055854 0.85 NR1H2 (0.32) NR1H2NR1H3ATAD2ANPEP
SCHEMBL23055515 0.84 DDB1 (0.39) DDB1CRBN
SCHEMBL23056008 0.83 NR1H2 (0.34) NR1H2NR1H3ATAD2ANPEPLMNA
SCHEMBL23055541 0.82 CASP6 (0.41) NR1H2NR1H3LMNADDB1CRBN
SCHEMBL23055997 0.81 NR1H2 (0.33) NR1H2NR1H3ANPEP
SCHEMBL23055495 0.80
SCHEMBL23055605 0.79 MAPT (0.40) LMNAHSD17B10
SCHEMBL23055880 0.75 NR1H2 (0.34) NR1H2NR1H3ATAD2ANPEPLMNA
SCHEMBL23055575 0.74 GAA (0.35) NR1H2NR1H3ATAD2ANPEPLMNA
SCHEMBL23055646 0.70 CRBN (0.34) LMNAHSD17B10DDB1CRBN

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 NR1H2 385/4885NR1H3 685/4885ATAD2 747/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 NR1H2 385/4885NR1H3 685/4885ATAD2 747/4885

“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.