SCHEMBL23055488

SCHEMBL23055488

CC1CCN(c2ccc3c(c2)/C(=C2\COCCN2)C(=O)N3C2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.38
BRCA1 P38398 1/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33
CSF1R P07333 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KIT P10721 1/20 0.31
KDR P35968 1/20 0.31
ALK Q9UM73 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL23055851 0.92 KIF11 (0.40) KIF11MAPTALDH1A1L3MBTL1GAA
SCHEMBL23055875 0.91 MAPT (0.38) KIF11MAPTALDH1A1L3MBTL1GAA
SCHEMBL23055447 0.90 MAPT (0.37) KIF11MAPTALDH1A1L3MBTL1GAA
SCHEMBL23055505 0.87 KIF11 (0.31) KIF11
SCHEMBL23055600 0.81 HCRTR1 (0.31)
SCHEMBL23055645 0.81 KIF11 (0.30) KIF11
SCHEMBL23055427 0.81 BACE1 (0.33) CASP1MAPTALDH1A1GAAHSD17B10
SCHEMBL23055445 0.80 KIF11 (0.31) KIF11
SCHEMBL23055862 0.78 PARP14 (0.32)
SCHEMBL23055852 0.78 ALDH1A1 (0.37) CASP1MAPTALDH1A1L3MBTL1LMNA

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 KIF11 3389/4885BRCA1 2403/4885USP2 4128/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 KIF11 3389/4885BRCA1 2403/4885USP2 4128/4885

“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.