SCHEMBL23055459

SCHEMBL23055459

CC(C)N1C(=O)/C(=C2/COCCN2)c2cc(NCC3CC3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CNR2 P34972 1/20 0.31
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 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
SCHEMBL23055592 0.96 CCNT1 (0.36) PRKCQCCNT1CDK9CNR2
SCHEMBL23055414 0.93 PDE3B (0.33) PRKCQCCNT1CDK9
SCHEMBL23055416 0.87 AR (0.31) PRKCQ
SCHEMBL23055503 0.86 AR (0.30)
SCHEMBL23055870 0.84 DDB1 (0.35)
SCHEMBL23055887 0.84 PDE3B (0.32)
SCHEMBL23055408 0.84 PTGS2 (0.33) PRKCQCDK9
SCHEMBL23055421 0.84 HRH3 (0.34)
SCHEMBL23055487 0.84 DDB1 (0.31)
SCHEMBL23055867 0.83 ALDH1A1 (0.33) TP53

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 PRKCQ 1025/4885CCNT1 2959/4885CDK9 1244/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 PRKCQ 1025/4885CCNT1 2959/4885CDK9 1244/4885

“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.