SCHEMBL1312912

SCHEMBL1312912

CN(C)CCOC(=O)c1c(CC2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c2ccccc2n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.52
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
LIMK2 P53671 1/20 0.40
SGMS1 Q86VZ5 3/20 0.39
SGMS2 Q8NHU3 3/20 0.39
HTR6 P50406 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL1317190 0.89 MAPK8 (0.64) MAPK8KDM4EPKMGPR119CHRM2
SCHEMBL12113329 0.86 MAPK8 (0.48) MAPK8
SCHEMBL1313638 0.85 MAPK8 (0.53) MAPK8KDM4EPKMGPR119CHRM2
Hydrochloric Acid SCHEMBL1313803 0.84 MAPK8 (0.46) MAPK8
SCHEMBL1314197 0.78 MAPK8 (0.40) MAPK8MAPTUSP30
SCHEMBL1313570 0.75 MAPK8 (0.38) MAPK8
SCHEMBL12116792 0.74 MAPK8 (0.58) MAPK8
SCHEMBL12113272 0.73 MAPK8 (0.61) MAPK8
Hydrochloric Acid SCHEMBL1314458 0.71 MAPK8 (0.58) MAPK8
SCHEMBL2483504 0.70 MAPK8 (0.45) MAPK8KDM4EPKMSGMS1SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 MAPK8 3189/4885KDM4E 1611/4885PKM 2057/4885

“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.