SCHEMBL3932072

SCHEMBL3932072

O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 6/20 0.57
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
GAA P10253 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
STAT6 P42226 1/20 0.50
NAAA Q02083 1/20 0.49
PREP P48147 2/20 0.48
GPBAR1 Q8TDU6 1/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL6216047 1.00 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1POLBMAPTMEN1
SCHEMBL3932081 1.00 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1POLBMAPTMEN1
SCHEMBL4579551 0.93 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1POLBMAPTMEN1
SCHEMBL4579546 0.93 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1POLBMAPTMEN1
SCHEMBL8343112 0.86 PREP (0.53) ALDH1A1CTSLCTSBGAANAAA
SCHEMBL22076255 0.85 CTSL (0.55) ALDH1A1MAPTCTSLCTSBGAA
SCHEMBL29048164 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1POLBMAPTMEN1
SCHEMBL13017770 0.84 NAAA (0.50) ALDH1A1CTSLCTSBGAANAAA
SCHEMBL12345121 0.84 NAAA (0.50) ALDH1A1CTSLCTSBGAANAAA
SCHEMBL8342642 0.82 GAA (0.63) SMN1; SMN2ALDH1A1POLBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 SMN1; SMN2 3397/4885ALDH1A1 4439/4885POLB 238/4885
US-20030195364-A1 Preparation of n-protected-3-pyrrolidine-lactam substituted phosphonium salts PNKP, PHOSPHO1, PTMS SMN1; SMN2 3317/4885ALDH1A1 4354/4885POLB 235/4885
US-20050070722-A1 1'-Benzyl-3-bromo-[1,3']bipyrrolidinyl-2-one BRD1, BRD4, BET1 SMN1; SMN2 3644/4885ALDH1A1 1143/4885POLB 715/4885

“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.