SCHEMBL3134022

SCHEMBL3134022

CC(=O)N(C)CCNC(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21816759 0.83 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA4TRPV4ALDH1A1
SCHEMBL24353226 0.81 KDM4E (0.31) ALDH1A1
SCHEMBL127489 0.81 DPP4 (0.33) CHRNB2CHRNB4CHRNA4
SCHEMBL26992992 0.80 USP2 (0.33) TRPV4ALDH1A1
SCHEMBL22794660 0.80 KDM4E (0.41) ALDH1A1POLB
SCHEMBL24764536 0.80 KDM4E (0.41) ALDH1A1POLB
SCHEMBL24508480 0.80 KDM4E (0.41) ALDH1A1POLB
SCHEMBL26047174 0.79 ALDH1A1 (0.36) CHRNB2CHRNB4CHRNA4ALDH1A1
SCHEMBL23696195 0.79 HRH3 (0.36) ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL23419314 0.78 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200323889-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2020-10-15 US disclosed
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2020-02-13 US disclosed
US-20180193486-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. 2018-07-12 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-20130029909-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2013-01-31 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-20110282047-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2011-11-17 US disclosed
US-20110245201-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2011-10-06 US disclosed
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-09-29 US disclosed
US-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 US disclosed
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery INSERT THERAPEUTICS, INC. (US) 2008-07-24 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-20180193486-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CHRM1 4112/4885CHRNB2 2828/4885CHRNB4 3016/4885
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 CHRM1 4598/4885CHRNB2 1362/4885CHRNB4 2080/4885
US-20130029909-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B CHRM1 4197/4885CHRNB2 2547/4885CHRNB4 2539/4885
US-20120202772-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 CHRM1 4700/4885CHRNB2 2207/4885CHRNB4 2675/4885
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 CHRM1 4700/4885CHRNB2 2207/4885CHRNB4 2675/4885
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery CD47, SDCBP, BST2 CHRM1 3556/4885CHRNB2 1651/4885CHRNB4 1785/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CHRM1 4112/4885CHRNB2 2828/4885CHRNB4 3016/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CHRM1 4112/4885CHRNB2 2828/4885CHRNB4 3016/4885
US-20200323889-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 CHRM1 4700/4885CHRNB2 2207/4885CHRNB4 2675/4885
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CHRM1 3573/4885CHRNB2 1067/4885CHRNB4 1170/4885
US-20110245201-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B CHRM1 4197/4885CHRNB2 2547/4885CHRNB4 2539/4885

“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.