SCHEMBL5105124

SCHEMBL5105124

COc1cc(CNCCN2CCCC2=O)ccc1OCc1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.59
▸ HTT P42858 3/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ GAA P10253 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CD274 Q9NZQ7 7/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ CYP1A2 P05177 3/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ CYP2D6 P10635 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.51
▸ HTR1A P08908 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ HTR6 P50406 1/20 0.46

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
SCHEMBL5099020 0.95 KMT2A (0.62) KMT2AHTTRAB9AGAASMN1; SMN2
SCHEMBL5092365 0.91 CD274 (0.56) KMT2AHTTRAB9AGAASMN1; SMN2
SCHEMBL5105031 0.90 CD274 (0.54) KMT2AHTTRAB9AGAASMN1; SMN2
SCHEMBL5096351 0.90 CD274 (0.67) KMT2AHTTRAB9AGAASMN1; SMN2
SCHEMBL5092453 0.88 CD274 (0.53) KMT2AHTTRAB9AGAASMN1; SMN2
SCHEMBL5092294 0.86 ALDH1A1 (0.59) KMT2AHTTGAASMN1; SMN2L3MBTL1
SCHEMBL5098454 0.85 CD274 (0.63) KMT2AHTTRAB9AGAASMN1; SMN2
SCHEMBL5092534 0.85 CD274 (0.55) KMT2AHTTRAB9AGAASMN1; SMN2
SCHEMBL5096309 0.85 CD274 (0.75) KMT2AHTTRAB9AGAASMN1; SMN2
SCHEMBL5096301 0.84 CD274 (0.60) KMT2AL3MBTL1CD274MEN1

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.

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