SCHEMBL23055679

SCHEMBL23055679

CN(C)c1ccc2c(c1)/C(=C1\CCCN1)C(=O)N2C1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA6 Q16445 1/20 0.32
PDK2 Q15119 2/20 0.30
NR3C2 P08235 1/20 0.30
PARP1 P09874 1/20 0.30
LMNA P02545 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL23055682 0.85 ALDH1A1 (0.37) PARP1ALDH1A1
SCHEMBL23055856 0.83 ACHE (0.36) ALDH1A1
SCHEMBL23055468 0.81 ALDH1A1 (0.34) LMNAALDH1A1
SCHEMBL23055458 0.73 ALDH1A1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23055460 0.73 L3MBTL1 (0.45) LMNAALDH1A1
SCHEMBL23055848 0.71 ALDH1A1 (0.35) ALDH1A1
SCHEMBL23055560 0.70 ALDH1A1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23055673 0.69 ALDH1A1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23055646 0.66 CRBN (0.34) LMNAALDH1A1
SCHEMBL23055684 0.66 HSD17B10 (0.32) LMNAALDH1A1

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 GABRA1 1365/4885GABRG2 1343/4885GABRB3 713/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 GABRA1 1365/4885GABRG2 1343/4885GABRB3 713/4885

“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.