SCHEMBL12495751

SCHEMBL12495751

CCOC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.42
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NR1H2 P55055 2/20 0.37
TP53 P04637 1/20 0.36
PIK3CD O00329 1/20 0.36
ESR2 Q92731 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL19034775 0.85 P2RX7 (0.38) ADORA1ALDH1A1DDB1CRBNNR1H2
SCHEMBL12495387 0.84 ITGB3 (0.41) ADORA1ALDH1A1DDB1CRBNNR1H2
SCHEMBL1583253 0.84 P2RX7 (0.46) ADORA1ALDH1A1DDB1CRBNNR1H2
SCHEMBL12495357 0.83 TSHR (0.43) TSHRALDH1A1LMNAPOLBTMEM97
SCHEMBL21520542 0.82 DDB1 (0.39) ADORA1ALDH1A1DDB1CRBNNR1H2
SCHEMBL28701145 0.82 ADORA1 (0.38) ADORA1ALDH1A1DDB1CRBNNR1H2
SCHEMBL1583540 0.82 CNR2 (0.40) ADORA1ALDH1A1DDB1CRBNNR1H2
SCHEMBL4005175 0.81 NR1H2 (0.41) ADORA1ALDH1A1KDM4EDDB1CRBN
SCHEMBL3635546 0.81 P2RX7 (0.45) ADORA1ALDH1A1DDB1CRBNNR1H2
SCHEMBL24744821 0.80 NR1H2 (0.40) ADORA1ALDH1A1DDB1CRBNNR1H2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351514-B2 Benzimidazole inhibitors of the sodium channel Mark G. DeGiacomo, Interim Trustee (US) 2019-07-16 US disclosed
US-10351514-B2 Benzimidazole inhibitors of the sodium channel Mark G. DeGiacomo, Interim Trustee (US) 2019-07-16 US disclosed
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 US disclosed
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 US disclosed
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 US disclosed
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2017-09-14 US disclosed
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2017-09-14 US disclosed
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2017-09-14 US disclosed
US-9688615-B2 Benzimidazole inhibitors of the sodium channel DEGIACOMO, INTERIM TRUSTEE, MARK G. (US) 2017-06-27 US disclosed
US-9688615-B2 Benzimidazole inhibitors of the sodium channel DEGIACOMO, INTERIM TRUSTEE, MARK G. (US) 2017-06-27 US disclosed
EP-3009427-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals Ltd. (CA) 2016-04-20 EP disclosed
EP-3009427-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals Ltd. (CA) 2016-04-20 EP disclosed
US-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2015-12-17 US disclosed
US-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2015-12-17 US disclosed
US-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2015-12-17 US disclosed
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (CA) 2014-07-03 US disclosed
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (CA) 2014-07-03 US disclosed
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (CA) 2014-07-03 US disclosed
EP-2681200-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals Ltd. (CA) 2014-01-08 EP disclosed
WO-2012116440-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-07 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 (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-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 ADORA1 1327/4885TSHR 3695/4885ALDH1A1 584/4885
US-10351514-B2 Benzimidazole inhibitors of the sodium channel SCN1A, KCNJ11, KCNJ1 ADORA1 1187/4885TSHR 3672/4885ALDH1A1 588/4885
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 ADORA1 1187/4885TSHR 3672/4885ALDH1A1 588/4885
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 ADORA1 1327/4885TSHR 3695/4885ALDH1A1 584/4885
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 ADORA1 1322/4885TSHR 3673/4885ALDH1A1 539/4885

“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.