SCHEMBL3052103

SCHEMBL3052103

COC(=O)C1(c2ccc(Br)cc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
ALDH1A1 P00352 5/20 0.45
HRH3 Q9Y5N1 1/20 0.43
HDAC4 P56524 3/20 0.42
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 1/20 0.40
MAPT P10636 5/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD11B1 P28845 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL3054538 0.97 HDAC1 (0.50) HDAC1ALDH1A1HRH3HDAC4CHRM2
SCHEMBL14712079 0.95 HRH3 (0.49) HDAC1ALDH1A1HRH3HDAC4CHRM2
SCHEMBL3049424 0.95 HDAC1 (0.51) HDAC1ALDH1A1HRH3HDAC4CHRM2
SCHEMBL349353 0.93 HDAC1 (0.42) HDAC1ALDH1A1HRH3HDAC4MAPT
SCHEMBL14712065 0.88 HRH3 (0.45) HDAC1ALDH1A1HRH3MAPTSMN1; SMN2
SCHEMBL15348097 0.85 PDE4A (0.39) HDAC1ALDH1A1HRH3HSD11B1
SCHEMBL1121038 0.85 HDAC1 (0.53) HDAC1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10112796 0.85 OPRM1 (0.51) HDAC1
SCHEMBL3486450 0.84 MAPT (0.51) ALDH1A1HRH3HDAC4CHRM3MAPT
Hydrochloric Acid SCHEMBL23535437 0.84 OPRM1 (0.50) HDAC1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2025-01-28 US disclosed
CN-116854681-A Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-10-10 CN 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
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-10-12 US disclosed
EP-3504205-B1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX INC (US) 2021-08-04 EP disclosed
EP-3735410-A1 PICOLINAMIDE COMPOUNDS Tempest Therapeutics, Inc. (US) 2020-11-11 EP disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 US disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 US disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 US disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
WO-2010086820-A1 4-AMINO-5-OXO-7, 8-DIHYDROPYRIMIDO [5,4-F] [1,4] OXAZEPIN-6 (5H) -YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF PFIZER INC. (US) 2010-08-05 WO disclosed
WO-2010086820-A1 4-AMINO-5-OXO-7, 8-DIHYDROPYRIMIDO [5,4-F] [1,4] OXAZEPIN-6 (5H) -YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF PFIZER INC. (US) 2010-08-05 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 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-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 HDAC1 393/4885ALDH1A1 158/4885HRH3 2490/4885
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR HDAC1 3043/4885ALDH1A1 61/4885HRH3 608/4885
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R HDAC1 948/4885ALDH1A1 2057/4885HRH3 326/4885
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S HDAC1 1448/4885ALDH1A1 681/4885HRH3 121/4885
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R HDAC1 948/4885ALDH1A1 2057/4885HRH3 326/4885
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine DPYD, SLC10A1, DHODH HDAC1 2366/4885ALDH1A1 798/4885HRH3 1417/4885

“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.