SCHEMBL2603258

SCHEMBL2603258

COCCNC(=O)N1CCC(C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.48
EPHX2 P34913 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL13015145 0.83 POLB (0.48) EPHX2HTTPOLBMAPTKDM4E
SCHEMBL2603264 0.83 HCRTR2 (0.45) HCRTR2HTTMAPTKMT2AMEN1
SCHEMBL17934120 0.81 EPHX2 (0.46) EPHX2HTTMAPTKDM4EKMT2A
SCHEMBL13107150 0.80 KMT2A (0.64) HCRTR2HTTPOLBKMT2AMEN1
SCHEMBL2603259 0.80 KMT2A (0.42) HTTKDM4EKMT2AALDH1A1TDP1
SCHEMBL2603261 0.80 HTT (0.45) HCRTR2HTTKMT2AMEN1TDP1
SCHEMBL12888705 0.79 TDP1 (0.56) EPHX2HTTKDM4EKMT2AMEN1
SCHEMBL22642310 0.78 HRH3 (0.49) HTTKDM4EKMT2AMEN1ATM
SCHEMBL24474332 0.78 KMT2A (0.46) HCRTR2HTTPOLBKDM4EKMT2A
SCHEMBL31686339 0.77 ALDH1A1 (0.58) EPHX2HTTMAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981954-B2 2-(pyrazin-2-ylcarbonylaminomethyl) benzimidazolium compounds as epithelial sodium channel inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-29 US disclosed
US-9981954-B2 2-(pyrazin-2-ylcarbonylaminomethyl) benzimidazolium compounds as epithelial sodium channel inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-29 US 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
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 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 (3 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 HCRTR2 595/4885EPHX2 1225/4885HTT 1695/4885
US-20180002314-A1 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL) BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS SCNN1A, TRPV1, SCNN1B HCRTR2 2300/4885EPHX2 3501/4885HTT 3745/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 HCRTR2 894/4885EPHX2 834/4885HTT 699/4885

“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.