SCHEMBL21733808

SCHEMBL21733808

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.35
NR3C1 P04150 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HTR2A P28223 1/20 0.32
LMNA P02545 2/20 0.32
PDE10A Q9Y233 2/20 0.32
HTT P42858 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
POLB P06746 1/20 0.31
IDH1 O75874 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APLNR P35414 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL21734083 0.88 TSPO (0.34) TSPONR3C1MAPTALDH1A1ESR1
SCHEMBL21733854 0.87 NR3C1 (0.37) NR3C1MAPTALDH1A1ESR1ESR2
SCHEMBL21733487 0.84 NR3C1 (0.34) TSPONR3C1MAPTALDH1A1ESR1
SCHEMBL21733868 0.83 PDE10A (0.38) TSPONR3C1MAPTALDH1A1ESR1
SCHEMBL21733489 0.83 TSPO (0.31) TSPONR3C1ALDH1A1PDE10ACNR1
SCHEMBL21733765 0.81 HCRTR1 (0.33) TSPONR3C1ALDH1A1CNR1CNR2
SCHEMBL21733646 0.81 HCRTR1 (0.33) TSPONR3C1ALDH1A1CNR1CNR2
SCHEMBL21733848 0.79 CNR1 (0.32) NR3C1MAPTLMNAPDE10ACNR1
SCHEMBL21733556 0.78 PDE10A (0.35) TSPOMAPTALDH1A1HTR2ALMNA
SCHEMBL30512396 0.78 PDE10A (0.35) TSPOMAPTALDH1A1HTR2ALMNA

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 4 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
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 (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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS TSPO 2970/4885NR3C1 1398/4885MAPT 3269/4885

“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.