SCHEMBL9995389

SCHEMBL9995389

COC(=O)CC(c1ccccc1)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
KCNA5 P22460 8/20 0.51
TDP1 Q9NUW8 1/20 0.46
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL16681724 1.00 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4KCNA5
SCHEMBL11990750 0.83 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL127648 0.82 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4TDP1
SCHEMBL13395851 0.82 KCNA5 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4KCNA5
SCHEMBL16689325 0.82 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4OPRM1
SCHEMBL5698049 0.82 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4OPRM1
Hydrochloric Acid SCHEMBL9995401 0.80 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4TDP1
SCHEMBL8605476 0.80 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4TDP1
SCHEMBL2347309 0.80 HPGD (0.57) KCNA5KMT2AALDH1A1MAPT
SCHEMBL9711642 0.79 KCNA5 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3566719-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES Cerulean Pharma Inc. (US) 2019-11-13 EP disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-24 US disclosed
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2015-01-01 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-20140274947-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2014-09-18 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-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
WO-2011161690-A1 PROCESSES FOR THE PREPARATION OF (+)-N,N-DIMETHYL-2-[1-(NAPHTHALENYLOXY) ETHYL] BENZENE METHANAMINE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2011-12-29 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 (7 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-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 CHRNB2 1362/4885CHRNB4 2080/4885CHRNA3 1485/4885
US-20140274947-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 CHRNB2 1362/4885CHRNB4 2080/4885CHRNA3 1485/4885
US-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 CHRNB2 1362/4885CHRNB4 2080/4885CHRNA3 1485/4885
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CHRNB2 1067/4885CHRNB4 1170/4885CHRNA3 1034/4885
US-20140255374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CHRNB2 2828/4885CHRNB4 3016/4885CHRNA3 3391/4885
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP CHRNB2 2563/4885CHRNB4 3315/4885CHRNA3 2505/4885
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CHRNB2 1067/4885CHRNB4 1170/4885CHRNA3 1034/4885

“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.