SCHEMBL3230665

SCHEMBL3230665

O=CC1CCn2c(=O)ccc3cccc1c32

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.34
DRD2 P14416 1/20 0.34
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL3226297 0.77 CDK4 (0.31) CDK4CCND1
SCHEMBL3227968 0.75 KCNH2 (0.32)
SCHEMBL1723375 0.69 HTR1A (0.43) HTR1ADRD2
SCHEMBL1723599 0.69 HTR1A (0.43) HTR1ADRD2
SCHEMBL2292376 0.69 HTR1A (0.43) HTR1ADRD2
SCHEMBL28749697 0.69 PARP1 (0.48)
SCHEMBL4421682 0.66 HTR1A (0.46) HTR1ADRD2CDK4CCND1KDM4E
SCHEMBL2291274 0.66 HTR1A (0.43) HTR1ADRD2CDK4CCND1
SCHEMBL3221898 0.65
SCHEMBL3149594 0.64 HTR1A (0.37) HTR1ADRD2CDK4CCND1

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-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 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 (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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 HTR1A 2158/4885DRD2 890/4885CDK4 802/4885

“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.