SCHEMBL6113016

SCHEMBL6113016

CC(C)(C)OC(=O)N1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.54
PDE4D Q08499 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
KDM1A O60341 1/20 0.47
MAPT P10636 2/20 0.46
HPGDS O60760 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
BRD3 Q15059 1/20 0.43

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
SCHEMBL2407380 0.94 GPR119 (0.48) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL2407379 0.94 GPR119 (0.48) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL2405553 0.88 PDE4B (0.46) GPR119PDE4BMAPTALDH1A1LMNA
SCHEMBL2407372 0.88 PDE4B (0.46) GPR119PDE4BMAPTALDH1A1LMNA
SCHEMBL2405552 0.88 PDE4B (0.46) GPR119PDE4BMAPTALDH1A1LMNA
SCHEMBL70414 0.87 KDM1A (0.53) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL14762986 0.85 PDE4D (0.53) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL17155352 0.85 GPR119 (0.52) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL1937029 0.84 FAAH (0.45) MAPTALDH1A1LMNA
SCHEMBL70696 0.84 GPR119 (0.60) GPR119PDE4DPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331551-B1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2016-06-29 EP disclosed
EP-2331551-B1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2016-06-29 EP disclosed
US-8486953-B2 Thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8486953-B2 Thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8486953-B2 Thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
US-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
US-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
WO-2010023181-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 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-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK GPR119 1980/4885PDE4D 1336/4885PDE4B 668/4885

“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.