SCHEMBL480053

SCHEMBL480053

COC(=O)C1(c2ccc(CBr)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRM1 P35372 1/20 0.38
KCNA3 P22001 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HSD11B1 P28845 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
SCHEMBL1407574 0.94 HRH3 (0.52) HRH3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL16897482 0.90 ALDH1A1 (0.49) HRH3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9064095 0.87 HDAC4 (0.42) HRH3ALDH1A1SMN1; SMN2ADRA1DADRA1A
SCHEMBL27700861 0.87 HRH3 (0.49) HRH3ALDH1A1SMN1; SMN2ADRA1DADRA1A
SCHEMBL25380968 0.85 HRH3 (0.46) HRH3ALDH1A1SMN1; SMN2ADRA1DADRA1A
SCHEMBL9052687 0.84 HDAC4 (0.38) HRH3ALDH1A1SMN1; SMN2ADRA1DADRA1A
SCHEMBL5988607 0.83 ALDH1A1 (0.48) HRH3ALDH1A1SMN1; SMN2ADRA1DADRA1A
SCHEMBL9041943 0.83 HDAC9 (0.48) HRH3ALDH1A1SMN1; SMN2ADRA1DADRA1A
SCHEMBL7015977 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTOPRM1
SCHEMBL22070497 0.81 CYP4F2 (0.43) ADRA1DADRA1AOPRM1KCNA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-01-11 US disclosed
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
US-10744117-B2 PPARG modulators for the treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2020-08-18 US disclosed
US-20180369196-A1 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-12-27 US disclosed
US-10016394-B2 PPARG modulators for treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-07-10 US disclosed
US-10016394-B2 PPARG modulators for treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-07-10 US disclosed
US-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2017-02-09 US disclosed
US-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2017-02-09 US disclosed
US-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2017-02-09 US disclosed
CN-103562198-B There is muscarinic receptor antagonist and the compound of beta 2-adrenergic receptor agonists activity 奇斯药制品公司 2016-08-24 CN disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 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 (9 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 HRH3 419/4885ALDH1A1 317/4885SMN1; SMN2 4229/4885
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 HRH3 149/4885ALDH1A1 3005/4885SMN1; SMN2 2998/4885
US-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 HRH3 1372/4885ALDH1A1 2072/4885SMN1; SMN2 4695/4885
US-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS PPARG, PPARA, PPARD HRH3 3655/4885ALDH1A1 4434/4885SMN1; SMN2 4185/4885
US-10016394-B2 PPARG modulators for treatment of osteoporosis PPARG, PPARA, PPARD HRH3 3655/4885ALDH1A1 4434/4885SMN1; SMN2 4185/4885
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD HRH3 3585/4885ALDH1A1 4575/4885SMN1; SMN2 3872/4885
US-20180369196-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD HRH3 3585/4885ALDH1A1 4575/4885SMN1; SMN2 3872/4885
US-10744117-B2 PPARG modulators for the treatment of osteoporosis PPARG, PPARA, PPARD HRH3 3585/4885ALDH1A1 4575/4885SMN1; SMN2 3872/4885
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD HRH3 3585/4885ALDH1A1 4575/4885SMN1; SMN2 3872/4885

“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.