SCHEMBL5098455

SCHEMBL5098455

O=C1CCCN1CCCNCc1ccc(OCc2cccc3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.71
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AKT1 P31749 1/20 0.44
ADRB2 P07550 1/20 0.43

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
SCHEMBL5105440 0.94 CD274 (0.63) CD274MEN1KMT2AMTNR1AMTNR1B
SCHEMBL5105512 0.86 MEN1 (0.77) CD274MEN1KMT2ASMN1; SMN2
SCHEMBL17898366 0.83 CD274 (1.00) CD274MEN1KMT2AAKT1
SCHEMBL5098986 0.82 CD274 (0.66) CD274MEN1KMT2ASMN1; SMN2AKT1
SCHEMBL5096313 0.82 KMT2A (0.66) CD274MEN1KMT2ASMN1; SMN2AKT1
SCHEMBL5105109 0.79 MEN1 (0.67) CD274MEN1KMT2A
SCHEMBL5092330 0.79 MEN1 (0.73) CD274MEN1KMT2ASMN1; SMN2
SCHEMBL14068417 0.78 CD274 (0.59) CD274MEN1KMT2ASMN1; SMN2AKT1
SCHEMBL5092228 0.78 MEN1 (0.71) CD274MEN1KMT2ASMN1; SMN2
SCHEMBL5099088 0.78 KMT2A (0.74) CD274MEN1KMT2ASMN1; SMN2

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 CD274 4861/4885MEN1 718/4885KMT2A 4198/4885

“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.