SCHEMBL423273

SCHEMBL423273

CC(C)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
GPR132 Q9UNW8 1/20 0.49
PARP10 Q53GL7 1/20 0.49
ADAMTS4 O75173 1/20 0.48
PGR P06401 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
ACACB O00763 1/20 0.47
LPAR3 Q9UBY5 3/20 0.46
ENPP2 Q13822 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL12384412 1.00 MAOB (0.57) MAOBGPR132PARP10ADAMTS4PGR
SCHEMBL20365859 0.90 MAOB (0.54) MAOBGPR132PARP10ADAMTS4PGR
SCHEMBL11982009 0.90 MAOB (0.58) MAOBGPR132PARP10ADAMTS4PGR
SCHEMBL10285316 0.90 MAOB (0.58) MAOBGPR132PARP10ADAMTS4PGR
SCHEMBL13840605 0.90 MAOB (0.58) MAOBGPR132PARP10ADAMTS4PGR
SCHEMBL22546635 0.88 MAOB (0.53) MAOBGPR132PARP10ADAMTS4PGR
SCHEMBL20093636 0.88 MAOB (0.56) MAOBGPR132PARP10ADAMTS4PGR
SCHEMBL14009999 0.83 PTPRA (0.49) PGRADORA3PTGS1SLC6A2SMN1; SMN2
SCHEMBL20093637 0.80 MAOB (0.51) MAOBGPR132PARP10ADAMTS4PGR
SCHEMBL464460 0.80 MAOB (0.57) MAOBGPR132PARP10ADAMTS4PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-03 US disclosed
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2015-01-01 US disclosed
US-20140378414-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC (US) 2014-12-25 US disclosed
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. (US) 2014-11-06 US disclosed
US-20140255374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2014-09-11 US disclosed
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 US disclosed
US-20120202772-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY GLUCKSMANN ALEXANDRA (US) 2012-08-09 US disclosed
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2012-01-05 US disclosed
US-20110178287-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-07-21 US 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 (11 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-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC MAOB 4403/4885GPR132 1598/4885PARP10 4344/4885
US-20120202772-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 MAOB 4472/4885GPR132 4053/4885PARP10 3235/4885
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 MAOB 4472/4885GPR132 4053/4885PARP10 3235/4885
US-20140255374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 MAOB 4212/4885GPR132 3698/4885PARP10 3537/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 MAOB 4212/4885GPR132 3698/4885PARP10 3537/4885
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP MAOB 3951/4885GPR132 3152/4885PARP10 2644/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 MAOB 4212/4885GPR132 3698/4885PARP10 3537/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP MAOB 3951/4885GPR132 3152/4885PARP10 2644/4885
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC MAOB 4403/4885GPR132 1598/4885PARP10 4344/4885
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC MAOB 4403/4885GPR132 1598/4885PARP10 4344/4885
US-20140378414-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 MAOB 4472/4885GPR132 4053/4885PARP10 3235/4885

“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.