SCHEMBL20817364

SCHEMBL20817364

OC1CCCN(C2CCCCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SLC18A3 Q16572 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR6 P50406 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL18566741 0.95 TSHR (0.46) TSHRPHGDHMGLLHRH3SLC18A3
SCHEMBL985944 0.93 PHGDH (0.47) TSHRPHGDHMGLLHRH3SLC18A3
SCHEMBL987309 0.91 TSHR (0.47) TSHRPHGDHMGLLHRH3SLC18A3
SCHEMBL2117149 0.88 TSHR (0.48) TSHRPHGDHMGLLHRH3SLC18A3
SCHEMBL2115222 0.88 TSHR (0.45) TSHRPHGDHMGLLHRH3SLC18A3
SCHEMBL429615 0.85 TSHR (0.40) TSHRPHGDHMGLLHRH3SLC18A3
SCHEMBL2114695 0.84 TSHR (0.43) TSHRPHGDHMGLLHRH3SLC18A3
SCHEMBL2114280 0.84 TSHR (0.41) TSHRPHGDHMGLLHRH3SLC18A3
SCHEMBL2116508 0.82 TSHR (0.46) TSHRPHGDHMGLLHRH3SLC18A3
SCHEMBL6630270 0.82 HRH3 (0.45) TSHRPHGDHMGLLHRH3MEN1

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
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
CN-111655680-A 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 2020-09-11 CN disclosed
EP-3681881-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS Ardelyx, Inc. (US) 2020-07-22 EP 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 TSHR 15/4885PHGDH 2337/4885MGLL 2514/4885
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders NR1H4, FXR1, FXR2 TSHR 15/4885PHGDH 2337/4885MGLL 2514/4885

“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.