SCHEMBL23055754

SCHEMBL23055754

CC(C)N1C(=O)C(=C2CCOCC2)c2cc(N3CCCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
ALDH1A1 P00352 8/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
ALOX12 P18054 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KIF11 P52732 5/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL23055388 0.85 MAPT (0.41) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL23055575 0.81 GAA (0.35) MAPTALDH1A1KMT2AHSD17B10L3MBTL1
SCHEMBL23055580 0.80 DDB1 (0.38) MAPTALDH1A1SMN1; SMN2GAAALOX12
SCHEMBL23055644 0.79 MAPT (0.41) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL23055605 0.78 MAPT (0.40) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL23055493 0.78 MAPT (0.39) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL23055617 0.77 CASP1 (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23055371 0.76 LMNA (0.38) MAPTALDH1A1KMT2AGAAALOX12
SCHEMBL23055527 0.76 LMNA (0.36) MAPTALDH1A1GAAALOX12
SCHEMBL23055462 0.75 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2AALOX15

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 1006/4885MEN1 3979/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 MAPT 2505/4885ALDH1A1 1006/4885MEN1 3979/4885

“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.