SCHEMBL23055412

SCHEMBL23055412

CC(C)N1CCC(Nc2ccc3c(c2)/C(=C2\COCCN2)C(=O)N3C2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
AXL P30530 1/20 0.32
MAPK1 P28482 1/20 0.32
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
JAK1 P23458 1/20 0.30
PRMT5 O14744 2/20 0.30
WDR77 Q9BQA1 2/20 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
SCHEMBL23055516 0.91 RET (0.35) HRH3AXLMAPK1PRMT5WDR77
SCHEMBL23055862 0.90 PARP14 (0.32) MAPK1PRMT5WDR77
SCHEMBL23055413 0.89 LMNA (0.33) MAPK1PRMT5WDR77
SCHEMBL23055624 0.89 PRKCQ (0.34) PRMT5WDR77
SCHEMBL23055872 0.88 HRH3 (0.41) HRH3MAPK13MAPK12MAPK11MAPK14
SCHEMBL23055521 0.87 DDB1 (0.36) HRH3MAPK13MAPK12MAPK11MAPK14
SCHEMBL23055903 0.87 PRMT5 (0.34) PRMT5WDR77
SCHEMBL23055402 0.86 BRD4 (0.31)
SCHEMBL23056167 0.86 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14ITGB2
SCHEMBL23055393 0.86 PRMT5 (0.34) AXLMAPK1PRMT5WDR77

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 HRH3 4750/4885MAPK13 3264/4885MAPK12 2600/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 HRH3 4750/4885MAPK13 3264/4885MAPK12 2600/4885

“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.