SCHEMBL23055347

SCHEMBL23055347

CCOC(=O)N1CCC(N2C(=O)/C(=C3/COCCN3)c3cc(N4C(C)CCC4C)ccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.37
ALDH1A1 P00352 8/20 0.36
MAPK1 P28482 3/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CHEK1 O14757 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL23055429 0.90 L3MBTL1 (0.44) L3MBTL1TSHRHTTALDH1A1MAPK1
SCHEMBL23055533 0.87 L3MBTL1 (0.46) L3MBTL1TSHRHTTALDH1A1MAPK1
SCHEMBL23055460 0.85 L3MBTL1 (0.45) L3MBTL1TSHRHTTALDH1A1MAPK1
SCHEMBL23055505 0.85 KIF11 (0.31)
SCHEMBL23055842 0.84 L3MBTL1 (0.43) L3MBTL1TSHRHTTALDH1A1MAPK1
SCHEMBL23055466 0.83 L3MBTL1 (0.43) L3MBTL1TSHRHTTALDH1A1MAPK1
SCHEMBL23055600 0.81 HCRTR1 (0.31)
SCHEMBL23055645 0.80 KIF11 (0.30)
SCHEMBL23055445 0.78 KIF11 (0.31)
SCHEMBL23055765 0.77 AR (0.32)

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 L3MBTL1 4159/4885TSHR 4099/4885HTT 2574/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 L3MBTL1 4159/4885TSHR 4099/4885HTT 2574/4885

“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.