SCHEMBL25942196

SCHEMBL25942196

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

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.65
▸ HSD17B10 Q99714 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ TSHR P16473 2/20 0.47
▸ EPAS1 Q99814 1/20 0.46
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL16698299 0.89 GPBAR1 (0.65) GPBAR1HSD17B10NR1H4ALDH1A1KMT2A
SCHEMBL25942183 0.85 GPBAR1 (0.52) GPBAR1HSD17B10NR1H4ALDH1A1KMT2A
SCHEMBL19899899 0.85 NR1H4 (0.55) GPBAR1NR1H4ALDH1A1LMNATSHR
SCHEMBL30437797 0.82 NR1H4 (0.51) GPBAR1NR1H4
SCHEMBL19899996 0.82 NR1H4 (0.51) GPBAR1NR1H4
SCHEMBL30605724 0.82 GPBAR1 (0.62) GPBAR1HSD17B10NR1H4ALDH1A1KMT2A
SCHEMBL16697733 0.82 GPBAR1 (0.62) GPBAR1HSD17B10NR1H4ALDH1A1KMT2A
SCHEMBL19900432 0.82 KMT2A (0.46) GPBAR1NR1H4KMT2ALMNAHTT
SCHEMBL21456306 0.80 NR1H4 (0.51) NR1H4ALDH1A1LMNATSHR
SCHEMBL25942214 0.80 NR1H4 (0.59) GPBAR1NR1H4

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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 — — 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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 GPBAR1 9/4885HSD17B10 2510/4885NR1H4 3/4885

“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.

Send feedback