SCHEMBL5105010

SCHEMBL5105010

CC(=O)NCCCNCc1ccc(OCc2ccccc2F)cc1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
CD274 Q9NZQ7 12/20 0.50
PDCD1 Q15116 10/20 0.50
HDAC6 Q9UBN7 3/20 0.47
HDAC1 Q13547 2/20 0.47
SCN8A Q9UQD0 1/20 0.46
SCN3A Q9NY46 1/20 0.45
PTPN1 P18031 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL5098920 0.94 CD274 (0.56) MAOBCD274PDCD1HDAC6SCN3A
SCHEMBL5104982 0.88 CD274 (0.62) CD274PDCD1PARP15PARP10MTNR1B
SCHEMBL5105122 0.82 SCN8A (0.49) MAOBCD274PDCD1SCN8ASCN3A
SCHEMBL5096316 0.81 CD274 (0.70) CD274PDCD1PARP15PARP10
SCHEMBL5098860 0.80 CD274 (0.58) CD274PDCD1SCN3AMTNR1B
SCHEMBL5105396 0.78 CD274 (0.66) MAOBCD274PDCD1SCN3APTPN1
SCHEMBL5099042 0.78 CD274 (0.66) CD274PDCD1SCN3AMTNR1B
SCHEMBL5092319 0.78 CD274 (0.57) MAOBCD274PDCD1SCN3A
SCHEMBL5096232 0.76 KMT2A (0.57) CD274MTNR1B
SCHEMBL5098924 0.76 CD274 (0.58) MAOBCD274

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 12 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
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
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 MAOB 1074/4885CD274 4861/4885PDCD1 4832/4885

“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.