SCHEMBL21216699

SCHEMBL21216699

COC(=O)c1cc(C(C)C)c2nc(N)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
MAPT P10636 4/20 0.44
CYP3A4 P08684 2/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KIT P10721 1/20 0.38
HPGD P15428 2/20 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
SCHEMBL23730805 0.85 NPC1 (0.44) MAPTSMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL29387320 0.82 HSD17B10 (0.55) CYP2C9MAPTCYP3A4KCNH2CYP1A2
SCHEMBL6058096 0.82 HSD17B10 (0.55) CYP2C9MAPTCYP3A4KCNH2CYP1A2
SCHEMBL23629004 0.82 CYP2C19 (0.55) CYP2C9MAPTCYP3A4KCNH2CYP1A2
SCHEMBL642545 0.81 CYP3A4 (0.50) CYP2C9MAPTCYP3A4KCNH2CYP1A2
SCHEMBL2275450 0.81 LMNA (0.51) CYP2C9MAPTCYP3A4KCNH2CYP1A2
SCHEMBL2920222 0.81 CYP2C9 (0.46) CYP2C9MAPTCYP3A4KCNH2CYP1A2
SCHEMBL11589979 0.81 ALDH1A1 (0.54) CYP2C9MAPTCYP3A4KCNH2CYP1A2
SCHEMBL19899930 0.80 CYP2C9 (0.44) CYP2C9MAPTCYP3A4KCNH2CYP1A2
SCHEMBL23114316 0.79 SMN1; SMN2 (0.41) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 US disclosed
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2025-01-28 US disclosed
CN-110177783-B Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-06-06 CN disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
EP-3954684-A1 PROCESS FOR THE PREPARATION OF HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS Ardelyx, Inc. (US) 2022-02-16 EP disclosed
EP-3504205-B1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX INC (US) 2021-08-04 EP disclosed
US-20210017177-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2021-01-21 US disclosed
US-10793568-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2020-10-06 US disclosed
US-20190233420-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. 2019-08-01 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 (6 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 CYP2C9 1237/4885MAPT 4700/4885CYP3A4 878/4885
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R CYP2C9 1237/4885MAPT 4700/4885CYP3A4 878/4885
US-10793568-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R CYP2C9 1363/4885MAPT 4713/4885CYP3A4 949/4885
US-20190233420-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R CYP2C9 1363/4885MAPT 4713/4885CYP3A4 949/4885
US-20210017177-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R CYP2C9 1237/4885MAPT 4700/4885CYP3A4 878/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R CYP2C9 1237/4885MAPT 4700/4885CYP3A4 878/4885

“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.