SCHEMBL21790808

SCHEMBL21790808

CCN1CCCC(NC(C)(C)CC)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GAA P10253 1/20 0.37
IL1B P01584 2/20 0.34
NLRP3 Q96P20 4/20 0.34
KCNH2 Q12809 1/20 0.34
HTR2A P28223 1/20 0.33
DPP4 P27487 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
CAMK2D Q13557 1/20 0.32

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
SCHEMBL19353186 0.86 GAA (0.37) POLBGAAIL1BNLRP3KCNH2
SCHEMBL12395719 0.86 GAA (0.39) GAAIL1BNLRP3KCNH2HTR2A
SCHEMBL12464694 0.78 KDM4E (0.37) POLBKDM4E
SCHEMBL23133624 0.76 GAA (0.41) GAAIL1BNLRP3KDM4EDRD2
SCHEMBL10271865 0.76 GAA (0.41) GAAIL1BNLRP3KDM4EDRD2
SCHEMBL1488354 0.76 GAA (0.41) GAAIL1BNLRP3KDM4EDRD2
SCHEMBL7778206 0.75 POLB (0.38) POLBKDM4E
SCHEMBL21283140 0.75 POLB (0.35) POLB
SCHEMBL12464589 0.74 GAA (0.40) GAAIL1BNLRP3KCNH2KDM4E
SCHEMBL1488352 0.74 GAA (0.40) GAAIL1BNLRP3KCNH2KDM4E

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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 POLB 2240/4885GAA 4358/4885IL1B 283/4885

“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.