SCHEMBL23055592

SCHEMBL23055592

CC(C)N1C(=O)/C(=C2/COCCN2)c2cc(NCC3CCOCC3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CNR2 P34972 1/20 0.34
PRKCQ Q04759 2/20 0.33
TTK P33981 1/20 0.32
P2RX3 P56373 1/20 0.32
BRD4 O60885 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
KCNH3 Q9ULD8 1/20 0.30
CHEK1 O14757 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
SCHEMBL23055459 0.96 PRKCQ (0.33) CCNT1CDK9CNR2PRKCQ
SCHEMBL23055414 0.95 PDE3B (0.33) CCNT1CDK9PRKCQBRD4GPR84
SCHEMBL23055421 0.86 HRH3 (0.34)
SCHEMBL23055416 0.86 AR (0.31) PRKCQ
SCHEMBL23055569 0.85 CCNT1 (0.35) CCNT1CDK9CNR2PRKCQBRD4
SCHEMBL23055503 0.84 AR (0.30)
SCHEMBL23055366 0.83 CNR2 (0.35) CCNT1CDK9CNR2PRKCQGPR84
SCHEMBL23055870 0.83 DDB1 (0.35)
SCHEMBL23055408 0.82 PTGS2 (0.33) CDK9PRKCQ
SCHEMBL23055487 0.82 DDB1 (0.31)

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 CCNT1 2959/4885CDK9 1244/4885CNR2 3699/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 CCNT1 2959/4885CDK9 1244/4885CNR2 3699/4885

“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.