SCHEMBL9986508

SCHEMBL9986508

CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(F)ccc2[N+](=O)[O-])[C@@H](O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND3 P30281 1/20 0.42
CDK6 Q00534 1/20 0.42
MAPT P10636 3/20 0.42
BRD3 Q15059 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
NPC1 O15118 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
MMP13 P45452 1/20 0.39
PTPN2 P17706 1/20 0.39

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
SCHEMBL9986511 1.00 GPR119 (0.43) GPR119HDAC1HDAC2CDK4CCND1
SCHEMBL9986499 0.87 GPR119 (0.41) GPR119HDAC1HDAC2MAPTBRD3
SCHEMBL9986502 0.87 GPR119 (0.41) GPR119HDAC1HDAC2MAPTBRD3
SCHEMBL22716682 0.85 ALDH1A1 (0.53) GPR119MAPTBRD3ALDH1A1LMNA
SCHEMBL12067693 0.84 GPR119 (0.46) GPR119HDAC1HDAC2CDK4CCND1
SCHEMBL3104469 0.84 LMNA (0.43) GPR119CDK4CCND1CCND3CDK6
SCHEMBL3104468 0.84 LMNA (0.43) GPR119CDK4CCND1CCND3CDK6
SCHEMBL3104465 0.84 LMNA (0.43) GPR119CDK4CCND1CCND3CDK6
SCHEMBL11900568 0.83 MAPT (0.44) GPR119HDAC1HDAC2MAPTALDH1A1
SCHEMBL4219716 0.83 MAPK1 (0.46) CDK4CCND1CCND3CDK6MAPT

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 4 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
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 GPR119 6/4885HDAC1 222/4885HDAC2 349/4885

“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.