SCHEMBL16698299

SCHEMBL16698299

O=C(O)c1c(-c2ccccc2Cl)noc1C1CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.65
▸ NR1H4 Q96RI1 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ TSHR P16473 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ EPAS1 Q99814 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL25942196 0.89 GPBAR1 (0.65) GPBAR1NR1H4HSD17B10KMT2ANPC1
SCHEMBL3645504 0.85 NR1H4 (0.58) NR1H4LMNAALDH1A1TSHRMAPT
SCHEMBL17358926 0.84 GPBAR1 (0.50) GPBAR1NR1H4HSD17B10KMT2ANPC1
SCHEMBL16697733 0.82 GPBAR1 (0.62) GPBAR1NR1H4HSD17B10KMT2ALMNA
SCHEMBL30605724 0.82 GPBAR1 (0.62) GPBAR1NR1H4HSD17B10KMT2ALMNA
SCHEMBL1930966 0.81 KMT2A (0.48) GPBAR1NR1H4KMT2ALMNAHTT
SCHEMBL21195682 0.81 NR1H4 (0.54) NR1H4
SCHEMBL28326024 0.81 GPBAR1 (0.45) GPBAR1NR1H4HSD17B10KMT2AMEN1
SCHEMBL19899921 0.80 NR1H4 (0.53) NR1H4LMNAALDH1A1TSHRMAPT
SCHEMBL24212391 0.79 GPBAR1 (1.00) GPBAR1CYP2C19

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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 — — US disclosed
US-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors VIROCURA THERAPEUTICS INC (CA) 2015-05-14 — — 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 (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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 GPBAR1 9/4885NR1H4 3/4885HSD17B10 2510/4885
US-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors EIF2AK2, GTF3C4, GTF3C1 GPBAR1 191/4885NR1H4 517/4885HSD17B10 1479/4885

“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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