SCHEMBL4130855

SCHEMBL4130855

CCCN(C(=O)C(F)(F)F)[C@H]1C[C@@H](n2cnc3c(NCC(O)(c4ccc(Cl)cc4)c4ccc(Cl)cc4)nc(N4CC[C@@H](NC(=O)NC5CCNC5)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
CNR2 P34972 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
SCHEMBL1402138 0.89 CDK1 (0.33) CNR2
SCHEMBL2091171 0.88 ADORA2A (0.31) CNR2
SCHEMBL1402086 0.88 ADORA2A (0.31) CNR2
SCHEMBL1402089 0.86 ADORA2A (0.36)
SCHEMBL241436 0.86 ADORA2A (0.41)
Trifluoroacetic Acid SCHEMBL4130848 0.86 ADORA2A (0.38) CCNCCDK8CNR2
SCHEMBL1402056 0.86 ADORA2A (0.38)
SCHEMBL1402067 0.85 ADORA2A (0.38)
SCHEMBL4125460 0.85 CDK1 (0.32)
SCHEMBL4121510 0.85 ADORA2A (0.37)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 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 (1 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-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 CCNC 1913/4885CDK8 2028/4885CNR2 726/4885

“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.