SCHEMBL7003667

SCHEMBL7003667

CCC(=O)N(C)CCN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL24784205 0.87 KMT2A (0.49) GLAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2811457 0.84 GLA (0.44) GLAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7004839 0.84 SIGMAR1 (0.52) SIGMAR1
SCHEMBL26579714 0.82 GLA (0.52) GLAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL259485 0.82 GLA (0.47) GLAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25118852 0.82 SIGMAR1 (0.41) OPRM1SIGMAR1
SCHEMBL22282225 0.82 TSHR (0.47) GLAALDH1A1POLBLMNAMEN1
SCHEMBL29889549 0.81 SMN1; SMN2 (0.44) GLAALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL3673101 0.81 GLA (0.46) GLAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7004890 0.80 HRH3 (0.46) GLAALDH1A1SMN1; SMN2MEN1KMT2A

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
CN-109580756-A Composition applied to Capillary Electrophoresis 杨翠芳 2019-04-05 CN claimed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
EP-2964617-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
US-9115093-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-9115093-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-20140249129-A1 Substituted Bicyclic Dihydropyrimidinones And Their Use As Inhibitors Of Neutrophil Elastase Activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-04 US disclosed
US-20140249129-A1 Substituted Bicyclic Dihydropyrimidinones And Their Use As Inhibitors Of Neutrophil Elastase Activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-04 US disclosed
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US disclosed
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US disclosed
EP-1594870-B1 SUBSTITUTED INDOLEPYRIDINIUM AS ANTI-INFECTIVE COMPOUNDS TIBOTEC PHARM LTD (IE) 2011-05-11 EP disclosed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 US disclosed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 US disclosed
US-20100048563-A1 SUBSTITUTED INDOLEPYRIDINIUM AS ANTI-INFECTIVE COMPOUNDS KESTELEYN BART RUDOLF ROMANIE 2010-02-25 US disclosed
US-20100048563-A1 SUBSTITUTED INDOLEPYRIDINIUM AS ANTI-INFECTIVE COMPOUNDS KESTELEYN BART RUDOLF ROMANIE 2010-02-25 US disclosed
US-7608726-B2 5-(2-Morpholin-4-yl-ethyl)-1-(4-nitro-phenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile; 5-isobutyl-1-(4-nitro-phenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile; anti-retroviral agent TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-10-27 US disclosed
US-7608726-B2 5-(2-Morpholin-4-yl-ethyl)-1-(4-nitro-phenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile; 5-isobutyl-1-(4-nitro-phenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile; anti-retroviral agent TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-10-27 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
US-20070249655-A1 4-Substituted-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones KESTELEYN BART R R 2007-10-25 US disclosed
US-20070249655-A1 4-Substituted-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones KESTELEYN BART R R 2007-10-25 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 (5 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-20140249129-A1 Substituted Bicyclic Dihydropyrimidinones And Their Use As Inhibitors Of Neutrophil Elastase Activity SERPINB1, ELANE, MPO GLA 323/4885ALDH1A1 109/4885SMN1; SMN2 2865/4885
US-20070249655-A1 4-Substituted-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones CYP8B1, CYP2S1, CYC1 GLA 4490/4885ALDH1A1 954/4885SMN1; SMN2 3333/4885
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS ATP2A1, ATP2A3, KCNN4 GLA 1452/4885ALDH1A1 1222/4885SMN1; SMN2 3205/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 GLA 1452/4885ALDH1A1 1222/4885SMN1; SMN2 3205/4885
US-20100048563-A1 SUBSTITUTED INDOLEPYRIDINIUM AS ANTI-INFECTIVE COMPOUNDS LTC4S, CYP8B1, CYP2E1 GLA 4536/4885ALDH1A1 995/4885SMN1; SMN2 4500/4885

“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.