SCHEMBL9986307

SCHEMBL9986307

CC(=O)OC1CN(C(=O)OC(C)(C)C)CCC1n1c(N)nc2ccc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.41
BACE2 Q9Y5Z0 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
PAK1 Q13153 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
IDO1 P14902 1/20 0.37
HPGDS O60760 1/20 0.36
CHEK2 O96017 1/20 0.36
PIK3CA P42336 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL9986302 1.00 BACE1 (0.41) BACE1BACE2HDAC1HDAC2JAK2
SCHEMBL12069851 1.00 BACE1 (0.41) BACE1BACE2HDAC1HDAC2JAK2
SCHEMBL9982573 0.82 OPRM1 (0.45) BACE1SMN1; SMN2GPR119IDO1
SCHEMBL9986226 0.75 HDAC2 (0.53) BACE1BACE2HDAC1HDAC2PAK1
SCHEMBL9986228 0.75 HDAC2 (0.53) BACE1BACE2HDAC1HDAC2PAK1
SCHEMBL3097991 0.74 SMN1; SMN2 (0.51) SMN1; SMN2
SCHEMBL14247494 0.73 USP30 (0.50) BACE1GPR119PIK3CAEGFR
SCHEMBL27349815 0.70 GPR119 (0.49) SMN1; SMN2GPR119
SCHEMBL3093608 0.70 SMN1; SMN2 (0.53) HDAC1HDAC2SMN1; SMN2GPR119
SCHEMBL11901568 0.69 BACE1 (0.42) BACE1BACE2HDAC1HDAC2GPR119

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 3 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
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 BACE1 1039/4885BACE2 2308/4885HDAC1 222/4885

“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.