SCHEMBL5096249

SCHEMBL5096249

CCCCCOc1ccc(CNCC(=O)NCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.55
S1PR1 P21453 2/20 0.55
S1PR3 Q99500 2/20 0.55
LPAR2 Q9HBW0 2/20 0.55
LMNA P02545 3/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
PDE4A P27815 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
FAAH O00519 2/20 0.51
MMP1 P03956 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
SCHEMBL5105487 0.97 LMNA (0.57) S1PR2S1PR1S1PR3LPAR2LMNA
SCHEMBL5105170 0.85 S1PR1 (0.56) S1PR1S1PR3LMNAALDH1A1
SCHEMBL26499206 0.83 S1PR2 (0.61) S1PR2S1PR1S1PR3LPAR2LMNA
SCHEMBL26497631 0.82 S1PR2 (0.60) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL26497466 0.80 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2LMNA
SCHEMBL5099013 0.80 GID4 (0.65)
SCHEMBL25807952 0.79 S1PR2 (0.62) S1PR2S1PR1S1PR3LPAR2
SCHEMBL5096244 0.78 S1PR2 (0.62) S1PR2S1PR1S1PR3LPAR2LMNA
SCHEMBL10052930 0.77 S1PR2 (0.55) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL5092458 0.77 S1PR2 (0.64) S1PR2S1PR1S1PR3LPAR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411091-B2 N-acyl-N′-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2008-08-12 US claimed
EP-1689708-B1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARM SPA (IT) 2007-06-27 EP claimed
US-20070142455-A1 N-acyl-n'-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-21 US claimed
CN-1886370-A N-acyl-N' -benzyl-alkylenediamino derivatives NEWRON PHARM SPA (IT) 2006-12-27 CN claimed
EP-1689708-A1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-16 EP claimed
WO-2005054189-A1 N-ACYL-N'-BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 WO claimed
EP-1535908-A1 N-acyl-N'-benzyl-alkylendiamino drivatives Newron Pharmaceuticals S.p.A. (IT) 2005-06-01 EP claimed
US-7411091-B2 N-acyl-N′-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2008-08-12 US disclosed
EP-1689708-B1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARM SPA (IT) 2007-06-27 EP disclosed
US-20070142455-A1 N-acyl-n'-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-21 US disclosed
CN-1886370-A N-acyl-N' -benzyl-alkylenediamino derivatives NEWRON PHARM SPA (IT) 2006-12-27 CN disclosed
EP-1689708-A1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-16 EP disclosed
WO-2005054189-A1 N-ACYL-N'-BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 WO disclosed
EP-1535908-A1 N-acyl-N'-benzyl-alkylendiamino drivatives Newron Pharmaceuticals S.p.A. (IT) 2005-06-01 EP 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 (1 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-20070142455-A1 N-acyl-n'-benzyl-alkylendiamino derivatives SCN7A, HTR7, TRPC7 S1PR2 1796/4885S1PR1 1719/4885S1PR3 952/4885

“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.