SCHEMBL23055447

SCHEMBL23055447

O=C1/C(=C2/COCCN2)c2cc(N3CCCCC3)ccc2N1C1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
ALDH1A1 P00352 6/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 11/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
CRBN Q96SW2 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL23055875 0.99 MAPT (0.38) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL23055851 0.94 KIF11 (0.40) MAPTALDH1A1L3MBTL1NPSR1SMN1; SMN2
SCHEMBL23055488 0.90 KIF11 (0.38) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL23055871 0.85 MAPT (0.36) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL23055505 0.84 KIF11 (0.31) KIF11
SCHEMBL23055661 0.83 MAPT (0.34) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL23055427 0.83 BACE1 (0.33) MAPTALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL23055509 0.82 MAPT (0.34) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL23055457 0.81 MAPT (0.36) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL23055493 0.80 MAPT (0.39) MAPTALDH1A1L3MBTL1MEN1KMT2A

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 MAPT 2505/4885ALDH1A1 1006/4885L3MBTL1 4159/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 MAPT 2505/4885ALDH1A1 1006/4885L3MBTL1 4159/4885

“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.