SCHEMBL22901311

SCHEMBL22901311

O=C(CN1C[C@H]2C[C@H](O)[C@@H]1C2)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
AVPR1A P37288 1/20 0.38
GLA P06280 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2C P28335 1/20 0.38
EPHX2 P34913 1/20 0.38
TSHR P16473 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
SCHEMBL20817350 0.79 HTR2C (0.48) ALDH1A1CYP2C19RAB9ASMN1; SMN2NPC1
SCHEMBL20817351 0.79 HTR2C (0.48) ALDH1A1CYP2C19RAB9ASMN1; SMN2NPC1
SCHEMBL26214885 0.79 HTR2C (0.48) ALDH1A1CYP2C19RAB9ASMN1; SMN2NPC1
SCHEMBL21216728 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL22901344 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL5591234 0.76 MAPT (0.58) CYP2C19TSHR
SCHEMBL566922 0.76 MAPT (0.58) CYP2C19TSHR
SCHEMBL16043911 0.76 MAPT (0.58) CYP2C19TSHR
SCHEMBL566923 0.76 MAPT (0.58) CYP2C19TSHR
SCHEMBL16044726 0.76 MAPT (0.58) CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
US-20210380585-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2021-12-09 US disclosed
US-20210017177-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2021-01-21 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 (4 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-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R ALDH1A1 2057/4885MAPK1 1736/4885L3MBTL1 1536/4885
US-20210380585-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS NR1H4, FXR1, FXR2 ALDH1A1 1318/4885MAPK1 1114/4885L3MBTL1 1010/4885
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders NR1H4, FXR1, FXR2 ALDH1A1 1318/4885MAPK1 1114/4885L3MBTL1 1010/4885
US-20210017177-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R ALDH1A1 2057/4885MAPK1 1736/4885L3MBTL1 1536/4885

“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.