SCHEMBL23055482

SCHEMBL23055482

CN1[C@@H]2CC[C@H]1CC(Nc1ccc3c(c1)/C(=C1\COCCN1)C(=O)N3C1CCOCC1)C2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
BRD4 O60885 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
PRMT5 O14744 3/20 0.31
WDR77 Q9BQA1 3/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL23056167 1.00 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14BRD4
SCHEMBL26653914 1.00 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14BRD4
SCHEMBL23055903 0.90 PRMT5 (0.34) PRMT5WDR77
SCHEMBL23055862 0.90 PARP14 (0.32) PRMT5WDR77
SCHEMBL23055404 0.89 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14BRD4
SCHEMBL23055516 0.89 RET (0.35) BRD4ATAD2PRMT5WDR77
SCHEMBL23055624 0.88 PRKCQ (0.34) PRMT5WDR77
SCHEMBL23055413 0.88 LMNA (0.33) PRMT5WDR77
SCHEMBL23055393 0.87 PRMT5 (0.34) PRMT5WDR77
SCHEMBL23055364 0.87 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14BRD4

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 MAPK13 3264/4885MAPK12 2600/4885MAPK11 2835/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 MAPK13 3264/4885MAPK12 2600/4885MAPK11 2835/4885

“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.