SCHEMBL557627

SCHEMBL557627

CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.73
PKM P14618 1/20 0.73
NAMPT P43490 3/20 0.53
GPR119 Q8TDV5 4/20 0.53
KMT2A Q03164 2/20 0.52
F2 P00734 2/20 0.48
PLG P00747 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
TPSAB1 Q15661 2/20 0.48
TPSD1 Q9BZJ3 2/20 0.48
TPSG1 Q9NRR2 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.47
FPR3 P25089 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
SCHEMBL15661860 0.86 KDM4E (0.80) KDM4EPKMNAMPTGPR119KMT2A
SCHEMBL13947430 0.86 KDM4E (0.80) KDM4EPKMNAMPTGPR119KMT2A
SCHEMBL1199259 0.86 NAMPT (0.57) KDM4EPKMNAMPTGPR119KMT2A
SCHEMBL3126505 0.85 KDM4E (0.79) KDM4EPKMNAMPTGPR119KMT2A
SCHEMBL20615646 0.85 KDM4E (0.79) KDM4EPKMNAMPTGPR119KMT2A
SCHEMBL16825871 0.85 KDM4E (0.79) KDM4EPKMNAMPTGPR119KMT2A
SCHEMBL20615733 0.85 KDM4E (0.79) KDM4EPKMNAMPTGPR119KMT2A
SCHEMBL26131403 0.85 KDM4E (1.00) KDM4EPKMNAMPTGPR119KMT2A
SCHEMBL20354579 0.84 NAMPT (0.58) KDM4EPKMNAMPTGPR119KMT2A
SCHEMBL3036555 0.84 KDM4E (0.80) KDM4EPKMNAMPTGPR119KMT2A

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
US-9161927-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-20 US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US 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 (2 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-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PDE4A, PDE12, PDE3B KDM4E 2238/4885PKM 1252/4885NAMPT 2126/4885
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 KDM4E 2377/4885PKM 427/4885NAMPT 1484/4885

“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.