SCHEMBL1889028

SCHEMBL1889028

Cc1cccc2c1Oc1ccccc1CC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
CASP3 P42574 1/20 0.37
CASP6 P55212 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 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
SCHEMBL10460624 0.81 MAOA (0.47) KMT2AMEN1MAOAMAOBHPGD
SCHEMBL1672615 0.80 MAOA (0.59) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL4427203 0.78 MAOA (0.61) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL11474820 0.76 PTGS2 (0.43) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL5658039 0.75 MAOA (0.41) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL11476389 0.74 KDM4E (0.39) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL5657956 0.74 CYP19A1 (0.47) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL7110536 0.74 PSMB5 (0.49) MAOAMAOBKDM4EATMMAPT
SCHEMBL7110728 0.73 PTGS2 (0.43) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL16801094 0.72 KDM4E (0.44) KDM4ECASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108623-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN ADOLOR CORPORATION (US) 2012-05-03 US disclosed
US-20120108623-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN ADOLOR CORPORATION (US) 2012-05-03 US disclosed
US-20120108623-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN ADOLOR CORPORATION (US) 2012-05-03 US disclosed
US-20110105552-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN ADOLOR CORPORATION (US) 2011-05-05 US disclosed
US-20110105552-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN ADOLOR CORPORATION (US) 2011-05-05 US disclosed
US-20110105552-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN ADOLOR CORPORATION (US) 2011-05-05 US disclosed
US-7829576-B2 Beloxepin and analogs for the treatment of pain ADOLOR CORPORATION (US) 2010-11-09 US disclosed
US-7829576-B2 Beloxepin and analogs for the treatment of pain ADOLOR CORPORATION (US) 2010-11-09 US disclosed
US-7829576-B2 Beloxepin and analogs for the treatment of pain ADOLOR CORPORATION (US) 2010-11-09 US disclosed
US-20100173927-A1 administering 2,3,4,4a,13b-hexahydro-2,10-dimethyldiben-[2,3:6,7]oxepino[4,5c]pyridine-4a-ol] for treating pain associated with surgery, inflammation, cancer and neuropathic pain; pain management ADOLOR CORPORATION (US) 2010-07-08 US disclosed
US-20090233957-A1 (-)-BELOXEPIN AND METHODS FOR ITS SYNTHESIS AND USE ADOLOR CORPORATION (US) 2009-09-17 US disclosed
US-20090233957-A1 (-)-BELOXEPIN AND METHODS FOR ITS SYNTHESIS AND USE ADOLOR CORPORATION (US) 2009-09-17 US disclosed
US-20090233957-A1 (-)-BELOXEPIN AND METHODS FOR ITS SYNTHESIS AND USE ADOLOR CORPORATION (US) 2009-09-17 US disclosed
US-20090233959-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN ADOLOR CORPORATION (US) 2009-09-17 US disclosed
US-20090233959-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN ADOLOR CORPORATION (US) 2009-09-17 US disclosed
US-20090233959-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN ADOLOR CORPORATION (US) 2009-09-17 US disclosed
US-20090233958-A1 (+)-BELOXEPIN AND METHODS FOR ITS SYNTHESIS AND USE ADOLOR CORPORATION (US) 2009-09-17 US disclosed
US-20090233958-A1 (+)-BELOXEPIN AND METHODS FOR ITS SYNTHESIS AND USE ADOLOR CORPORATION (US) 2009-09-17 US disclosed
US-20090233958-A1 (+)-BELOXEPIN AND METHODS FOR ITS SYNTHESIS AND USE ADOLOR CORPORATION (US) 2009-09-17 US disclosed
WO-2009105507-A2 BELOXEPIN, ITS ENANTIOMERS, AND ANALOGS THEREOF FOR THE TREATMENT OF PAIN ADOLOR CORPORATION (US) 2009-08-27 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 (6 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-20100173927-A1 administering 2,3,4,4a,13b-hexahydro-2,10-dimethyldiben-[2,3:6,7]oxepino[4,5c]pyridine-4a-ol] for treating pain associated with surgery, inflammation, cancer and neuropathic pain; pain management OPRL1, OPRK1, OPRM1 KMT2A 1393/4885MEN1 3538/4885MAOA 2408/4885
US-20090233959-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN OPRL1, LPXN, OPRK1 KMT2A 2760/4885MEN1 4378/4885MAOA 2720/4885
US-20090233957-A1 (-)-BELOXEPIN AND METHODS FOR ITS SYNTHESIS AND USE BCHE, LOX, NAPEPLD KMT2A 3975/4885MEN1 2381/4885MAOA 720/4885
US-20120108623-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN OPRL1, LPXN, OPRK1 KMT2A 2760/4885MEN1 4378/4885MAOA 2720/4885
US-20090233958-A1 (+)-BELOXEPIN AND METHODS FOR ITS SYNTHESIS AND USE BCHE, ACHE, LOX KMT2A 4143/4885MEN1 2128/4885MAOA 558/4885
US-20110105552-A1 BELOXEPIN AND ANALOGS FOR THE TREATMENT OF PAIN OPRL1, LPXN, OPRK1 KMT2A 2760/4885MEN1 4378/4885MAOA 2720/4885

“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.