SCHEMBL6417839

SCHEMBL6417839

COc1c(Sc2ccc(F)cc2)c(C)nn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
DRD2 P14416 4/20 0.40
MAPT P10636 6/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 5/20 0.39
BRD4 O60885 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
DYRK1A Q13627 1/20 0.36

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
SCHEMBL6418077 0.89 MAPT (0.45) CCNT1CDK9DRD2MAPTPOLB
SCHEMBL6416052 0.88 MAPT (0.40) CCNT1CDK9DRD2MAPTPOLB
SCHEMBL6418080 0.88 MAPT (0.40) CCNT1CDK9DRD2MAPTPOLB
SCHEMBL6417508 0.87 BRD4 (0.39) CCNT1CDK9DRD2MAPTPOLB
SCHEMBL6417474 0.86 MAPT (0.39) CCNT1CDK9DRD2MAPTPOLB
SCHEMBL6417674 0.86 MAPT (0.39) CCNT1CDK9DRD2MAPTPOLB
SCHEMBL6416100 0.86 MAPT (0.39) CCNT1CDK9DRD2MAPTPOLB
SCHEMBL6416980 0.85 MAPT (0.39) CCNT1CDK9DRD2MAPTPOLB
SCHEMBL6419051 0.84 MAPT (0.39) DRD2MAPTPOLBGAATP53
SCHEMBL6421163 0.83 MAPT (0.45) CCNT1CDK9DRD2MAPTPOLB

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-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor BAYER HEALTHCARE AG (DE) 2005-06-02 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-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor HTR2C, HTR2A, HTR2B CCNT1 2260/4885CDK9 2329/4885DRD2 105/4885

“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.