SCHEMBL23264604

SCHEMBL23264604

CCOc1ccc(C)c2c1CCC(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTT P42858 1/20 0.35
GAA P10253 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
OPRK1 P41145 1/20 0.34
GRK6 P43250 1/20 0.34

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
SCHEMBL6588345 0.84 ADRB3 (0.36) ADRB3ALDH1A1GAAKMT2AMEN1
SCHEMBL6583309 0.84 ADRB3 (0.36) ADRB3ALDH1A1GAAKMT2AMEN1
SCHEMBL12559624 0.83 ADRA2A (0.41) ADRB3ALDH1A1KDM4EGAA
SCHEMBL6588792 0.83 DDB1 (0.37) ADRB3DDB1CRBNALDH1A1GAA
SCHEMBL98389 0.83 KDM4E (0.46) ADRB3DDB1CRBNALDH1A1KDM4E
SCHEMBL9384640 0.83 ADRB3 (0.40) ADRB3ADRB2
SCHEMBL9385975 0.82 HTR1B (0.41) ADRB3
SCHEMBL9384498 0.82 ALDH1A1 (0.46) ADRB3ALDH1A1GAAKMT2AMEN1
SCHEMBL12559634 0.82 BRD4 (0.51) CRBNCYP19A1CYP11B1CYP11B2HTT
SCHEMBL6587180 0.82 DDB1 (0.39) ADRB3DDB1CRBNALDH1A1GAA

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-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-22 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-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C ADRB3 1458/4885DDB1 1590/4885CRBN 3615/4885

“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.