SCHEMBL3497573

SCHEMBL3497573

O=C1CCC(c2ccc(O)cc2)N1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.56
ESR1 P03372 2/20 0.56
GUSB P08236 4/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HDAC2 Q92769 1/20 0.44
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 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
SCHEMBL14458014 0.95 ESR2 (0.51) ESR2ESR1GUSBPDE4APDE4B
SCHEMBL9800296 0.89 ESR2 (0.49) ESR2ESR1GUSBPDE4APDE4B
SCHEMBL620339 0.82 ESR2 (0.44) ESR2ESR1GUSBKMT2A
SCHEMBL29743248 0.82 ESR2 (0.44) ESR2ESR1GUSBKMT2A
SCHEMBL23878342 0.81 TDP1 (0.46) PDE4APDE4BPDE4CPDE4DHDAC2
SCHEMBL22201142 0.81 TP53 (0.51) ESR2ESR1PDE4APDE4BPDE4C
SCHEMBL22190402 0.81 PDE4A (0.44) ESR2ESR1GUSBPDE4APDE4B
SCHEMBL22201146 0.81 ALDH1A1 (0.54) ESR2ESR1PDE4APDE4BPDE4C
SCHEMBL22201140 0.81 PDE4A (0.44) ESR2ESR1GUSBPDE4APDE4B
SCHEMBL22201147 0.81 PDE4A (0.44) ESR2ESR1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP claimed
EP-0671388-A1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-09-13 EP claimed
US-20180338980-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-29 US disclosed
EP-3307715-A1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-04-18 EP disclosed
CN-107848974-A Aromatic sulfonamide derivatives 拜耳制药股份公司 2018-03-27 CN disclosed
WO-2016198374-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 WO disclosed
EP-2217592-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
US-7659294-B2 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as S1P receptor agonists MERCK & CO., INC. (US) 2010-02-09 US disclosed
WO-2009058300-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-05-07 WO disclosed
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
CN-101043887-A 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as s1p receptor agonists MERCK & CO INC (US) 2007-09-26 CN disclosed
US-6274613-B1 APPLYING COMPOUNDS SUCH AS A GAMMA-ETHOXY-GAMMA-BUTYROLACTAM TO PESTS AND/OR THEIR HABITATS BAYER AKTIENGESELLSCHAFT (DE) 2001-08-14 US disclosed
EP-1121357-A1 2-HETARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-08-08 EP disclosed
EP-1080072-A1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-03-07 EP disclosed
EP-1077938-A1 2-(2-METHYLPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER AG (DE) 2001-02-28 EP disclosed
WO-2000021958-A1 2-HETARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-20 WO disclosed
WO-1999059968-A1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
WO-1999059967-A1 2-(2-METHYLPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0942901-A1 CYCLIC IMINES AS PESTICIDES BAYER AG (DE) 1999-09-22 EP disclosed
WO-1998022438-A1 CYCLIC IMINES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-28 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-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists S1PR1, S1PR3, S1PR5 ESR2 444/4885ESR1 819/4885GUSB 4594/4885
US-20180338980-A1 AROMATIC SULFONAMIDE DERIVATIVES ARSA, SULT2A1, TPST2 ESR2 1222/4885ESR1 1890/4885GUSB 2963/4885

“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.