SCHEMBL21733646

SCHEMBL21733646

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.33
HCRTR2 O43614 7/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TSPO P30536 1/20 0.30
NR3C1 P04150 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL21733765 1.00 HCRTR1 (0.33) HCRTR1HCRTR2CNR1CNR2TSPO
SCHEMBL21733823 0.90 HCRTR1 (0.32) HCRTR1HCRTR2CNR1CNR2
SCHEMBL21733487 0.89 NR3C1 (0.34) HCRTR1HCRTR2CNR1CNR2TSPO
SCHEMBL21733489 0.87 TSPO (0.31) HCRTR1HCRTR2CNR1CNR2TSPO
SCHEMBL21733790 0.84 MEN1 (0.35) HCRTR1HCRTR2CNR1CNR2ALDH1A1
SCHEMBL28493072 0.82 TSPO (0.32) TSPONR3C1ALDH1A1
SCHEMBL21733808 0.81 TSPO (0.35) HCRTR1HCRTR2CNR1CNR2TSPO
SCHEMBL21733848 0.81 CNR1 (0.32) HCRTR1HCRTR2CNR1CNR2NR3C1
SCHEMBL21733785 0.80 KMT2A (0.32) CNR1CNR2ALDH1A1
SCHEMBL21733838 0.80 TP53 (0.32) HCRTR2TSPOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US 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 HCRTR1 4575/4885HCRTR2 4007/4885CNR1 3943/4885

“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.