SCHEMBL23055673

SCHEMBL23055673

CN(C)c1ccc2c(c1)/C(=C1\CCCCCN1)C(=O)N2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 4/20 0.35
APP P05067 2/20 0.35
SNCA P37840 2/20 0.35
CASP3 P42574 2/20 0.33
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA6 Q16445 1/20 0.31
CYBB P04839 1/20 0.30
NOX4 Q9NPH5 1/20 0.30
HTR1A P08908 1/20 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
SCHEMBL23055560 0.99 ALDH1A1 (0.47) ALDH1A1MAPTAPPSNCACASP3
SCHEMBL23055458 0.95 ALDH1A1 (0.48) ALDH1A1MAPTAPPSNCACASP3
SCHEMBL23055766 0.84 ALDH1A1 (0.44) ALDH1A1MAPTAPPSNCACASP3
SCHEMBL23055547 0.80 ALDH1A1 (0.45) ALDH1A1MAPTAPPSNCACASP3
SCHEMBL23055682 0.77 ALDH1A1 (0.37) ALDH1A1CYBBNOX4HTR1A
SCHEMBL23055465 0.75 ALDH1A1 (0.45) ALDH1A1MAPTAPPSNCACASP3
SCHEMBL23055468 0.75 ALDH1A1 (0.34) ALDH1A1HSD17B10CYBBNOX4LMNA
SCHEMBL23055495 0.71
SCHEMBL23055838 0.70 ALDH1A1 (0.42) ALDH1A1MAPTAPPSNCAMAPK1
SCHEMBL23056005 0.67 NR1H2 (0.44) ALDH1A1MAPTCASP3HPGDMEN1

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 ALDH1A1 1006/4885MAPT 2505/4885APP 3704/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 ALDH1A1 1006/4885MAPT 2505/4885APP 3704/4885

“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.