SCHEMBL187243

SCHEMBL187243

Cc1nc(C2CCNCC2)oc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.43
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
MAPKAPK2 P49137 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ALOX15B O15296 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR3A P46098 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
IKBKB O14920 1/20 0.38
HTR6 P50406 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8055472 0.86 EP300 (0.39) FAAHGABRA1HTR2CHTR3ANR1H4
SCHEMBL3088777 0.84 FAAH (0.47) FAAHGABRA1GABRG2GABRB3MAPKAPK2
SCHEMBL3092687 0.79 FAAH (0.45) FAAHHTR2AHTR2CHTR2BALDH1A1
SCHEMBL3098625 0.76 GABRA1 (0.47) FAAHGABRA1HTR2AHTR2CHTR2B
SCHEMBL20791706 0.72 ALDH1A1 (0.73) GABRA1GABRG2GABRB3ALOX15BALDH1A1
SCHEMBL15006790 0.72 GABRA1 (0.37) GABRA1GABRG2GABRB3HTR2CNR1H4
Bromide SCHEMBL2711503 0.71 ALDH1A1 (0.71) GABRA1GABRG2GABRB3ALOX15BALDH1A1
SCHEMBL4422352 0.71 NR1H4 (0.65) NR1H4NPC1RAB9A
Hydrochloric Acid SCHEMBL23858303 0.70 NR1H4 (0.64) NR1H4NPC1RAB9A
SCHEMBL31618453 0.70 MAPK14 (0.48) GABRA1GABRG2GABRB3HTR2AHTR2C

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 35 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 disclosed
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 EP disclosed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 EP disclosed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 EP disclosed
US-9161927-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-20 US disclosed
US-9161927-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-20 US disclosed
US-9161927-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-20 US disclosed
US-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 US disclosed
US-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 US disclosed
US-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 US disclosed
EP-2400962-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
WO-2011124525-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 WO 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

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-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS PTGER4, PTGER1, PDE4A FAAH 1131/4885GABRA1 2217/4885GABRG2 2680/4885
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 FAAH 2701/4885GABRA1 3682/4885GABRG2 3616/4885

“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.