SCHEMBL21733489

SCHEMBL21733489

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(I)c(C3CC(=O)CCC3C)c2F)cc1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.31
NR3C1 P04150 1/20 0.31
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PDE10A Q9Y233 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21733487 0.91 NR3C1 (0.34) TSPONR3C1HCRTR1HCRTR2CNR1
SCHEMBL21733814 0.89 ACHE (0.32) TSPONR3C1CNR1CNR2PDE10A
SCHEMBL21733765 0.87 HCRTR1 (0.33) TSPONR3C1HCRTR1HCRTR2CNR1
SCHEMBL21733646 0.87 HCRTR1 (0.33) TSPONR3C1HCRTR1HCRTR2CNR1
SCHEMBL21733848 0.86 CNR1 (0.32) NR3C1HCRTR1HCRTR2CNR1CNR2
SCHEMBL21733808 0.83 TSPO (0.35) TSPONR3C1HCRTR1HCRTR2CNR1
SCHEMBL21733790 0.80 MEN1 (0.35) HCRTR1HCRTR2CNR1CNR2ALDH1A1
SCHEMBL21733767 0.80 TP53 (0.32) TSPOALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL21733783 0.79 PDE10A (0.33) CNR1CNR2PDE10AALDH1A1TSHR
SCHEMBL21733854 0.78 NR3C1 (0.37) NR3C1HCRTR1HCRTR2CNR1CNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO 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 (2 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS TSPO 2970/4885NR3C1 1398/4885HCRTR1 4575/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS TSPO 2970/4885NR3C1 1398/4885HCRTR1 4575/4885

“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.