SCHEMBL187529

SCHEMBL187529

[O-][S+]1CCc2nc(N3CCC(c4ccc(Cl)cc4)CC3)nc(NC3(CO)CC3)c21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ CHIT1 Q13231 1/20 0.32
▸ CHIA Q9BZP6 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31

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
SCHEMBL14734249 0.96 MMP2 (0.32) MMP2MMP9MMP13GRM5MTOR
SCHEMBL973013 0.91 HTR2A (0.31) HTR2A
SCHEMBL12209419 0.91 — —
SCHEMBL973435 0.91 — —
SCHEMBL12921205 0.91 ALDH1A1 (0.30) —
SCHEMBL8058980 0.91 HTR2A (0.32) HTR2A
SCHEMBL12921226 0.91 PDE4D (0.34) MMP2MMP9MMP13MTORSCN9A
SCHEMBL8053179 0.90 MTOR (0.32) MTOR
SCHEMBL12921230 0.90 TSHR (0.33) DRD2
SCHEMBL975272 0.89 TRPV1 (0.34) DRD2

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 — — EP claimed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 — — EP claimed
US-9161927-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-20 — — US claimed
US-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 — — US claimed
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 — — US claimed
US-20130225609-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — US claimed
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — US claimed
US-10745411-B2 Piperidino-dihydrothienopyrimidine sulfoxides and their use for treating COPD and asthma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-18 — — US disclosed
US-20200048278-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INT (DE) 2020-02-13 — — US disclosed
US-20180072754-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INT (DE) 2018-03-15 — — US disclosed
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 — — EP disclosed
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 — — EP disclosed
US-9802954-B2 Piperidino-dihydrothienopyrimidine sulfoxides and their use for treating COPD and asthma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-31 — — US disclosed
WO-2011124525-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 — — WO 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
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
WO-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — WO disclosed
WO-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — WO 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 (8 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-20200048278-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA CBS, CYSLTR1, DHPS MMP2 2398/4885MMP9 2275/4885MMP13 3449/4885
US-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS PTGER4, PTGER1, PDE4A MMP2 883/4885MMP9 2051/4885MMP13 1675/4885
US-20180072754-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA CBS, CYSLTR1, DHPS MMP2 2398/4885MMP9 2275/4885MMP13 3449/4885
US-10745411-B2 Piperidino-dihydrothienopyrimidine sulfoxides and their use for treating COPD and asthma CBS, DHPS, TPMT MMP2 2437/4885MMP9 2008/4885MMP13 3494/4885
US-20130225609-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS PTGER4, PTGER1, PDE4A MMP2 883/4885MMP9 2051/4885MMP13 1675/4885
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PDE4A, PDE12, PDE3B MMP2 685/4885MMP9 743/4885MMP13 1141/4885
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS PDE4B, PDE3B, PDE4A MMP2 85/4885MMP9 281/4885MMP13 374/4885
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 MMP2 4529/4885MMP9 4621/4885MMP13 4505/4885

“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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