SCHEMBL5096285

SCHEMBL5096285

COc1cc(CNCCCNC(C)=O)ccc1OCc1ccccc1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
HTT P42858 2/20 0.73
RAB9A P51151 2/20 0.73
MTNR1A P48039 2/20 0.59
MTNR1B P49286 2/20 0.59
MAPT P10636 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CD274 Q9NZQ7 3/20 0.55
MEN1 O00255 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
GAA P10253 3/20 0.53
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCHE P06276 1/20 0.49

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
SCHEMBL5098443 0.94 KMT2A (0.70) KMT2AHTTRAB9AMTNR1AMTNR1B
SCHEMBL5099042 0.91 CD274 (0.66) KMT2AHTTRAB9AMTNR1AMTNR1B
SCHEMBL5098860 0.89 CD274 (0.58) KMT2AHTTRAB9AMTNR1AMTNR1B
SCHEMBL5096232 0.89 KMT2A (0.57) KMT2AHTTRAB9AMTNR1AMTNR1B
SCHEMBL5096284 0.88 CD274 (0.62) KMT2AHTTRAB9AMTNR1AMTNR1B
SCHEMBL3458474 0.86 KMT2A (0.70) KMT2AHTTRAB9AMAPTCYP1A2
SCHEMBL5092370 0.85 KMT2A (0.64) KMT2AHTTRAB9AMAPTCYP1A2
SCHEMBL5098863 0.84 CD274 (0.74) KMT2AHTTRAB9AMAPTCYP1A2
SCHEMBL5105316 0.82 CD274 (0.66) KMT2AHTTRAB9AMAPTCYP1A2
SCHEMBL5092374 0.82 KMT2A (0.55) KMT2AHTTRAB9AMAPTCYP1A2

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 KMT2A 4198/4885HTT 961/4885RAB9A 1637/4885

“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.