SCHEMBL25942183

SCHEMBL25942183

Cc1ccccc1-c1noc(C2CC2)c1C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.52
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ NR1H4 Q96RI1 2/20 0.40
▸ EPAS1 Q99814 1/20 0.38

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
SCHEMBL17358926 0.88 GPBAR1 (0.50) GPBAR1ALDH1A1KMT2ANPC1HSD17B10
SCHEMBL17358925 0.87 GPBAR1 (0.49) GPBAR1ALDH1A1KMT2ANPC1HSD17B10
SCHEMBL25942196 0.85 GPBAR1 (0.65) GPBAR1ALDH1A1KMT2ANPC1HSD17B10
SCHEMBL9957859 0.85 GPBAR1 (0.45) GPBAR1ALDH1A1KMT2ANPC1HSD17B10
SCHEMBL9957133 0.85 GPBAR1 (0.47) GPBAR1ALDH1A1KMT2ATSHRLMNA
SCHEMBL9957861 0.85 GPBAR1 (0.45) GPBAR1ALDH1A1KMT2ANPC1HSD17B10
SCHEMBL26485417 0.83 GPBAR1 (0.48) GPBAR1ALDH1A1KMT2AHSD17B10TSHR
SCHEMBL30437797 0.81 NR1H4 (0.51) GPBAR1NR1H4
SCHEMBL19899996 0.81 NR1H4 (0.51) GPBAR1NR1H4
SCHEMBL19900432 0.81 KMT2A (0.46) GPBAR1KMT2ATSHRLMNAHTT

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-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 — — 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 9/4885ALDH1A1 968/4885KMT2A 2360/4885
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R GPBAR1 10/4885ALDH1A1 2057/4885KMT2A 2388/4885

“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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