SCHEMBL23055366

SCHEMBL23055366

O=C1/C(=C2/COCCN2)c2cc(NCC3CC3)ccc2N1C1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
PRKCQ Q04759 2/20 0.33
KCNH3 Q9ULD8 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL23055569 0.98 CCNT1 (0.35) CNR2CCNT1CDK9PRKCQKCNH3
SCHEMBL23055518 0.94 CCNT1 (0.33) CNR2CCNT1CDK9PRKCQKCNH3
SCHEMBL23055862 0.85 PARP14 (0.32) PRKCQ
SCHEMBL23055413 0.84 LMNA (0.33) PRKCQ
SCHEMBL23055903 0.84 PRMT5 (0.34)
SCHEMBL23055624 0.84 PRKCQ (0.34) PRKCQ
SCHEMBL23055579 0.84 DDB1 (0.38)
SCHEMBL23055352 0.83 BRD4 (0.30)
SCHEMBL23055592 0.83 CCNT1 (0.36) CNR2CCNT1CDK9PRKCQKCNH3
SCHEMBL23055459 0.83 PRKCQ (0.33) CNR2CCNT1CDK9PRKCQ

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