SCHEMBL31478028

SCHEMBL31478028

COc1cccc2c3c(oc12)CN(CCCCOc1ccc2ccc(=O)n(C)c2c1)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 1.00
HTR1A P08908 2/20 0.74
DRD1 P21728 2/20 0.74
DRD4 P21917 2/20 0.74
DRD5 P21918 2/20 0.74
HTR2A P28223 2/20 0.74
HTR2C P28335 2/20 0.74
DRD3 P35462 2/20 0.74
ABCB1 P08183 6/20 0.46
ABCC1 P33527 3/20 0.44
HTR5A P47898 1/20 0.43

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
SCHEMBL29042970 1.00 DRD2 (1.00) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL29043054 0.86 DRD2 (1.00) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL31478045 0.86 DRD2 (1.00) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL29042952 0.85 DRD2 (1.00) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL31478063 0.85 DRD2 (1.00) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL30524212 0.84 DRD2 (0.80) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL25330929 0.83 DRD2 (1.00) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL31478050 0.83 DRD2 (1.00) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL31478006 0.81 DRD2 (1.00) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL31478004 0.81 DRD2 (1.00) DRD2HTR1ADRD1DRD4DRD5

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-20250109139-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2025-04-03 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-20250109139-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF PARK7, HADH, BDNF DRD2 458/4885HTR1A 109/4885DRD1 461/4885

“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.