SCHEMBL10086103

SCHEMBL10086103

CCCCC(=O)NCCN(C)C

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.86
CASP2 P42575 1/20 0.52
FAAH O00519 5/20 0.52
NAAA Q02083 1/20 0.48
CNR1 P21554 2/20 0.45
ALDH1A1 P00352 1/20 0.43
ACKR3 P25106 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
DRD3 P35462 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
SCHEMBL74134 0.92 DNM1 (1.00) DNM1CASP2FAAHNAAACNR1
SCHEMBL5162813 0.92 DNM1 (1.00) DNM1CASP2FAAHNAAACNR1
SCHEMBL2457504 0.92 DNM1 (1.00) DNM1CASP2FAAHNAAACNR1
SCHEMBL24215404 0.92 DNM1 (1.00) DNM1CASP2FAAHNAAACNR1
SCHEMBL3787478 0.92 DNM1 (1.00) DNM1CASP2FAAHNAAACNR1
SCHEMBL24754372 0.92 DNM1 (1.00) DNM1CASP2FAAHNAAACNR1
SCHEMBL8394712 0.92 DNM1 (1.00) DNM1CASP2FAAHNAAACNR1
SCHEMBL74855 0.92 DNM1 (1.00) DNM1CASP2FAAHNAAACNR1
SCHEMBL76253 0.92 DNM1 (1.00) DNM1CASP2FAAHNAAACNR1
SCHEMBL74796 0.92 DNM1 (1.00) DNM1CASP2FAAHNAAACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3245200-B1 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL)BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-10 EP disclosed
US-20180002314-A1 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL) BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-04 US disclosed
WO-2016113168-A1 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL)BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-21 WO disclosed
US-8287910-B2 Polymeric micelles for polynucleotide encapsulation INTEZYNE TECHNOLOGIES, INC. (US) 2012-10-16 US disclosed
US-8287910-B2 Polymeric micelles for polynucleotide encapsulation INTEZYNE TECHNOLOGIES, INC. (US) 2012-10-16 US disclosed
US-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-20100278927-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 US disclosed
US-20100278927-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 US disclosed
US-7767660-B2 Antiviral indoles ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-08-03 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 US disclosed
US-7666880-B2 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2010-02-23 US disclosed
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 US disclosed
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 US disclosed
US-20080214522-A1 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-09-04 US disclosed
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2008-04-10 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-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 DNM1 2259/4885CASP2 3621/4885FAAH 2296/4885
US-20080214522-A1 Antiviral indoles IDO1, ZC3HAV1, YBX1 DNM1 2500/4885CASP2 3667/4885FAAH 2349/4885
US-20180002314-A1 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL) BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS SCNN1A, TRPV1, SCNN1B DNM1 3858/4885CASP2 1978/4885FAAH 4396/4885
US-20100278927-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION NCL, POLN, CHMP4B DNM1 1864/4885CASP2 4375/4885FAAH 4073/4885
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders HDAC1, HDAC5, HDAC11 DNM1 1651/4885CASP2 935/4885FAAH 1407/4885

“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.