SCHEMBL8044027

SCHEMBL8044027

[O-][S+]1CCc2nc(N3CCC(Oc4ccc(F)c(F)c4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.38
▸ GPR6 P46095 14/20 0.37
▸ EHMT2 Q96KQ7 2/20 0.37
▸ EHMT1 Q9H9B1 2/20 0.37
▸ KCNH2 Q12809 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ACACB O00763 1/20 0.34

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
SCHEMBL12209944 0.93 GPR6 (0.39) PDE4DGPR6EHMT2EHMT1KCNH2
SCHEMBL8055440 0.91 PDE4D (0.45) PDE4DGPR6EHMT2EHMT1KCNH2
SCHEMBL186760 0.89 GPR6 (0.38) PDE4DGPR6EHMT2EHMT1ACACB
SCHEMBL12921324 0.89 EHMT2 (0.37) PDE4DGPR6EHMT2EHMT1
SCHEMBL8057035 0.88 PDE4D (0.35) PDE4DEHMT2EHMT1KCNH2
SCHEMBL12209704 0.88 PDE4D (0.37) PDE4DGPR6EHMT2EHMT1
SCHEMBL12921314 0.87 PDE4D (0.36) PDE4DGPR6EHMT2EHMT1
SCHEMBL12921369 0.87 PDE4D (0.37) PDE4DEHMT2EHMT1
SCHEMBL8056344 0.87 MEN1 (0.41) PDE4DEHMT2EHMT1HRH3
SCHEMBL12921321 0.87 HRH3 (0.36) PDE4DEHMT2EHMT1HRH3

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
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 — — EP disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 — — EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 — — EP disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 — — 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 PDE4D 2859/4885GPR6 1117/4885EHMT2 3902/4885

“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.

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