SCHEMBL20833979

SCHEMBL20833979

Cc1cccc(C)c1-n1ncc(C2CC2)c1CCl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
DHODH Q02127 2/20 0.33
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2C P28335 2/20 0.33
LMNA P02545 1/20 0.32
GRM7 Q14831 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TNF P01375 1/20 0.32
NOD1 Q9Y239 1/20 0.32
HPGD P15428 1/20 0.32
GALR3 O60755 1/20 0.31

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
SCHEMBL20833799 0.92 NR1H4 (0.36) TP53DHODHGRM2ALDH1A1TSHR
SCHEMBL30807047 0.92 NR1H4 (0.36) TP53DHODHGRM2ALDH1A1TSHR
SCHEMBL20833982 0.86 TP53 (0.38) TP53DHODHALDH1A1TSHRNPSR1
SCHEMBL17839932 0.84 NR1H4 (0.41) GRM2ALDH1A1NPC1RAB9A
SCHEMBL20833797 0.83 NR1H4 (0.40) DHODHGRM2
SCHEMBL30034762 0.80 NR1H4 (0.36) TP53DHODHGRM2ALDH1A1TSHR
SCHEMBL20833875 0.80 NR1H4 (0.38) TP53DHODHNPBWR1NPC1RAB9A
SCHEMBL20833800 0.80 NR1H4 (0.36) TP53DHODHGRM2ALDH1A1TSHR
SCHEMBL20833739 0.79 NR1H4 (0.42) DHODHGRM2
SCHEMBL20833788 0.73 TP53 (0.32) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655680-B Hormone receptor modulators for the treatment of metabolic mutations and fibrotic conditions and disorders 阿德利克斯股份有限公司 2024-03-05 CN disclosed
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
EP-3681881-B1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX INC (US) 2022-11-02 EP disclosed
US-20210380585-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2021-12-09 US disclosed
WO-2019055808-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2019-03-21 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 (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-20210380585-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS NR1H4, FXR1, FXR2 TP53 1009/4885DHODH 4137/4885GRM2 419/4885
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders NR1H4, FXR1, FXR2 TP53 1009/4885DHODH 4137/4885GRM2 419/4885

“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.