SCHEMBL5099714

SCHEMBL5099714

O=C1CCCN1CCNCc1ccc(NCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
DPP7 Q9UHL4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CD274 Q9NZQ7 3/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
ACHE P22303 1/20 0.45
RAB9A P51151 1/20 0.45
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
TYRO3 Q06418 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
SCHEMBL8225985 0.92 TSHR (0.60) TSHRDPP7L3MBTL1CD274KMT2A
SCHEMBL14068417 0.84 CD274 (0.59) TSHRDPP7L3MBTL1CD274KMT2A
SCHEMBL5105109 0.83 MEN1 (0.67) TSHRDPP7CD274KMT2AMEN1
SCHEMBL5096370 0.83 TSHR (0.49) TSHRDPP7L3MBTL1CD274KMT2A
SCHEMBL5105365 0.81 CD274 (0.57) TSHRCD274KMT2AMEN1RAB9A
SCHEMBL5105141 0.79 CD274 (0.54) TSHRCD274KMT2AMEN1RAB9A
SCHEMBL9461580 0.78 L3MBTL1 (0.55) TSHRDPP7L3MBTL1CD274KMT2A
SCHEMBL12336937 0.78 TSHR (0.59) TSHRL3MBTL1KMT2AACHERAB9A
SCHEMBL5105512 0.76 MEN1 (0.77) DPP7CD274KMT2AMEN1
SCHEMBL5099100 0.76 CD274 (0.65) TSHRCD274KMT2AMEN1

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 TSHR 598/4885DPP7 336/4885L3MBTL1 3327/4885

“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.