SCHEMBL3939716

SCHEMBL3939716

O=C1[C@H](Br)CCN1C1CCN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.56
CHRM3 P20309 8/20 0.56
CHRM2 P08172 7/20 0.56
DRD2 P14416 3/20 0.51
DRD4 P21917 3/20 0.51
DRD3 P35462 3/20 0.51
OPRL1 P41146 4/20 0.48
OPRM1 P35372 3/20 0.48
OPRK1 P41145 2/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL13899122 1.00 FPR2 (0.56) FPR2CHRM3CHRM2DRD2DRD4
SCHEMBL3941523 1.00 FPR2 (0.56) FPR2CHRM3CHRM2DRD2DRD4
SCHEMBL13898835 0.84 CHRM3 (0.56) FPR2CHRM3CHRM2DRD2DRD4
SCHEMBL13898844 0.81 CHRM3 (0.53) FPR2CHRM3CHRM2DRD2DRD4
SCHEMBL6384049 0.81 CHRM3 (0.53) FPR2CHRM3CHRM2DRD2DRD4
SCHEMBL3936589 0.81 CHRM3 (0.53) FPR2CHRM3CHRM2DRD2DRD4
SCHEMBL13899123 0.81 CHRM3 (0.53) FPR2CHRM3CHRM2DRD2DRD4
Bromide SCHEMBL3934084 0.79 CHRM3 (0.51) FPR2CHRM3CHRM2DRD2DRD4
Bromide SCHEMBL3931967 0.79 CHRM3 (0.51) FPR2CHRM3CHRM2DRD2DRD4
SCHEMBL5633429 0.76 ACHE (0.59) CHRM3CHRM2DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262307-B2 1′-benzyl-3-bromo-[1,3′]bipyrrolidinyl-2-one BASILEA PHARMACEUTICA AG (CH) 2007-08-28 US claimed
EP-1311518-B1 PREPARATION OF N-PROTECTED-3-PYRROLIDINE-LACTAM SUBSTITUTED PHOSPHONIUM SALTS BASILEA PHARMACEUTICA AG (CH) 2005-11-02 EP claimed
US-20050070722-A1 1'-Benzyl-3-bromo-[1,3']bipyrrolidinyl-2-one BASILEA PHARMACEUTICA AG (CH) 2005-03-31 US claimed
US-20030195364-A1 Preparation of n-protected-3-pyrrolidine-lactam substituted phosphonium salts BASILEA PHARMACEUTICA AG (CH) 2003-10-16 US claimed
US-7511154-B2 Preparation of N-protected-3-pyrrolidine-lactam substituted phosphonium salts BASILEA PHARMACEUTICALS AG (CH) 2009-03-31 US disclosed
US-20080009637-A1 Preparation of N-protected-3-pyrrolidine-lactam substituted phosphonium salts BASILEA PHARMACEUTICA AG 2008-01-10 US disclosed
US-7262307-B2 1′-benzyl-3-bromo-[1,3′]bipyrrolidinyl-2-one BASILEA PHARMACEUTICA AG (CH) 2007-08-28 US disclosed
US-7262307-B2 1′-benzyl-3-bromo-[1,3′]bipyrrolidinyl-2-one BASILEA PHARMACEUTICA AG (CH) 2007-08-28 US disclosed
EP-1311518-B1 PREPARATION OF N-PROTECTED-3-PYRROLIDINE-LACTAM SUBSTITUTED PHOSPHONIUM SALTS BASILEA PHARMACEUTICA AG (CH) 2005-11-02 EP disclosed
US-20050070722-A1 1'-Benzyl-3-bromo-[1,3']bipyrrolidinyl-2-one BASILEA PHARMACEUTICA AG (CH) 2005-03-31 US disclosed
US-20050070722-A1 1'-Benzyl-3-bromo-[1,3']bipyrrolidinyl-2-one BASILEA PHARMACEUTICA AG (CH) 2005-03-31 US disclosed
US-6828442-B2 Coupling N-benzyl-3-pyrrolidinamine compound with acyl halide; cyclization in presence of a base; reacting with triphenylphosphine to obtain phosphonium salt; reacting with di-tert. -butyl-dicarbonate under hydrogenation conditions BASILEA PHARMACEUTICA AG (CH) 2004-12-07 US disclosed
US-20030195364-A1 Preparation of n-protected-3-pyrrolidine-lactam substituted phosphonium salts BASILEA PHARMACEUTICA AG (CH) 2003-10-16 US disclosed
EP-1311518-A1 PREPARATION OF N-PROTECTED-3-PYRROLIDINE-LACTAM SUBSTITUTED PHOSPHONIUM SALTS Basilea Pharmaceutica AG (CH) 2003-05-21 EP disclosed
WO-2002014332-A1 PREPARATION OF N-PROTECTED-3-PYRROLIDINE-LACTAM SUBSTITUTED PHOSPHONIUM SALTS BASILEA PHARMACEUTICA AG (CH) 2002-02-21 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-20080009637-A1 Preparation of N-protected-3-pyrrolidine-lactam substituted phosphonium salts PNKP, PNISR, CLK3 FPR2 3529/4885CHRM3 3106/4885CHRM2 3120/4885
US-20030195364-A1 Preparation of n-protected-3-pyrrolidine-lactam substituted phosphonium salts PNKP, PHOSPHO1, PTMS FPR2 3578/4885CHRM3 3163/4885CHRM2 3132/4885
US-20050070722-A1 1'-Benzyl-3-bromo-[1,3']bipyrrolidinyl-2-one BRD1, BRD4, BET1 FPR2 1281/4885CHRM3 4394/4885CHRM2 4771/4885

“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.