SCHEMBL9986226

SCHEMBL9986226

CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1cc(F)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.53
HDAC1 Q13547 5/20 0.53
GPR119 Q8TDV5 2/20 0.43
BACE1 P56817 3/20 0.43
BACE2 Q9Y5Z0 2/20 0.43
HDAC3 O15379 2/20 0.41
ALDH1A1 P00352 2/20 0.39
BRD3 Q15059 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PAK1 Q13153 1/20 0.38
USP30 Q70CQ3 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9986228 1.00 HDAC2 (0.53) HDAC2HDAC1GPR119BACE1BACE2
SCHEMBL12069847 0.89 GPR119 (0.43) HDAC2HDAC1GPR119BACE1BACE2
SCHEMBL9986502 0.85 GPR119 (0.41) HDAC2HDAC1GPR119BACE1BACE2
SCHEMBL9986499 0.85 GPR119 (0.41) HDAC2HDAC1GPR119BACE1BACE2
SCHEMBL22716777 0.81 ALDH1A1 (0.57) HDAC2HDAC1GPR119HDAC3ALDH1A1
SCHEMBL11901842 0.78 HDAC2 (0.60) HDAC2HDAC1GPR119ALDH1A1NPC1
SCHEMBL4746559 0.76 HDAC1 (0.48) HDAC2HDAC1GPR119ALDH1A1NPC1
SCHEMBL31282675 0.76 ALDH1A1 (0.53) HDAC2HDAC1GPR119BACE1BACE2
SCHEMBL31283797 0.76 ALDH1A1 (0.53) HDAC2HDAC1GPR119BACE1BACE2
SCHEMBL9986302 0.75 BACE1 (0.41) HDAC2HDAC1GPR119BACE1BACE2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582681-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 EP disclosed
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 US disclosed
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 US disclosed
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 US disclosed
WO-2011157793-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 WO disclosed
WO-2011157793-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 WO 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-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 HDAC2 349/4885HDAC1 222/4885GPR119 6/4885

“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.