SCHEMBL3495660

SCHEMBL3495660

O=C1CCC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CMA1 P23946 2/20 0.37
HTR1D P28221 1/20 0.36
SCN9A Q15858 1/20 0.36
HDAC2 Q92769 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL7045469 1.00 DRD2 (0.43) DRD2DRD3DRD1DRD4DRD5
SCHEMBL14063609 0.96 DRD2 (0.40) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7044387 0.82 CA1 (0.35) DRD2DRD3DRD1DRD4DRD5
SCHEMBL5620504 0.81 GRIN2B (0.46) PDE4APDE4BPDE4CPDE4DCMA1
SCHEMBL3656926 0.79 DRD2 (0.39) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3656922 0.79 DRD2 (0.39) DRD2DRD3DRD1DRD4DRD5
SCHEMBL5889322 0.77 GRIN2B (0.49) PDE4APDE4BPDE4CPDE4DCMA1
SCHEMBL4148437 0.77 GRIN2B (0.49) PDE4APDE4BPDE4CPDE4DCMA1
SCHEMBL7041726 0.76 CA2 (0.41) PDE4APDE4BPDE4CPDE4DHDAC2
SCHEMBL22190351 0.75 PARP1 (0.48) PDE4APDE4BPDE4CPDE4DCMA1

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
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
US-7122506-B2 Cyclic imines as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2006-10-17 US disclosed
EP-1077938-B1 2-(2-METHYLPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2005-04-13 EP disclosed
US-20040186287-A1 Cyclic imines as pesticides PLANT ANDREW (DE) 2004-09-23 US disclosed
US-20040152904-A1 Delta1 pyrrolines BAYER CROPSCIENCE AG (DE) 2004-08-05 US disclosed
EP-1080072-B1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-08-04 EP disclosed
US-6770595-B2 ACTIVITY AGAINST ARTHROPODS IN AGRICULTURE AND PARASITES ENCOUNTERED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 2004-08-03 US disclosed
WO-2002024644-A1 DELTA 1-PYRROLINES FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-03-28 WO 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 (3 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-20040152904-A1 Delta1 pyrrolines AP3D1, OPRD1, PRMT1 DRD2 224/4885DRD3 209/4885DRD1 28/4885
US-20040186287-A1 Cyclic imines as pesticides DDT, CYP1A1, AR DRD2 409/4885DRD3 220/4885DRD1 49/4885
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists S1PR1, S1PR3, S1PR5 DRD2 2840/4885DRD3 2198/4885DRD1 2355/4885

“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.