SCHEMBL23326766

SCHEMBL23326766

CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Oc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccnc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.47
▸ ESR2 Q92731 1/20 0.43
▸ ACACB O00763 1/20 0.40
▸ MAPT P10636 2/20 0.37
▸ ABHD6 Q9BV23 1/20 0.36
▸ MAP3K5 Q99683 4/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ MET P08581 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ GRAMD1A Q96CP6 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL23326690 0.89 HRH3 (0.37) ESR2HRH3MET
SCHEMBL23327026 0.87 ESR2 (0.42) NR1H2ESR2ACACBMAPTMAP3K5
SCHEMBL23327015 0.86 HDAC8 (0.38) —
SCHEMBL23326826 0.83 ACACB (0.35) NR1H2ESR2ACACBMETAXL
SCHEMBL21593114 0.81 NR1H2 (0.44) NR1H2ESR2ACACBMAPTIGF1R
SCHEMBL29836508 0.80 NR1H2 (0.43) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23762242 0.80 NR1H2 (0.43) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23762243 0.79 NR1H2 (0.42) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23326809 0.79 MET (0.33) MET
SCHEMBL21593215 0.78 NR1H2 (0.51) NR1H2ESR2ACACBMAPTJAK2

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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 — — 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 NR1H2 439/4885ESR2 537/4885ACACB 584/4885

“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.

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