SCHEMBL15844342

SCHEMBL15844342

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TACR1 P25103 9/20 0.53
HTR2C P28335 1/20 0.52
EPHX2 P34913 1/20 0.52
CCR2 P41597 3/20 0.52
MTOR P42345 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MLYCD O95822 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A4 P31645 1/20 0.46

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
SCHEMBL5275905 0.91 CCR2 (0.59) ALDH1A1TACR1CCR2MTORLMNA
SCHEMBL15844868 0.88 HTR2C (0.51) TACR1HTR2CCCR2MTORLMNA
SCHEMBL17342646 0.88 USP2 (0.56) ALDH1A1TACR1CCR2MTORLMNA
SCHEMBL8095243 0.88 ERCC1 (0.55) ALDH1A1CCR2MTORLMNAPOLB
SCHEMBL4035356 0.87 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTR2CEPHX2
SCHEMBL4036835 0.87 KMT2A (0.62) ALDH1A1SMN1; SMN2HTR2CEPHX2LMNA
SCHEMBL31414598 0.87 KMT2A (0.62) ALDH1A1SMN1; SMN2HTR2CEPHX2LMNA
Formic Acid SCHEMBL5676537 0.86 CCR2 (0.55) ALDH1A1TACR1CCR2MTORLMNA
SCHEMBL13818163 0.81 LMNA (0.51) TACR1CCR2MTORLMNAPOLB
SCHEMBL15843952 0.80 HTR2C (0.61) TACR1HTR2CCCR2MTORMLYCD

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 14 patents. 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-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-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

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 ALDH1A1 584/4885SMN1; SMN2 293/4885TACR1 1486/4885
US-10351514-B2 Benzimidazole inhibitors of the sodium channel SCN1A, KCNJ11, KCNJ1 ALDH1A1 588/4885SMN1; SMN2 307/4885TACR1 1462/4885
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 ALDH1A1 588/4885SMN1; SMN2 307/4885TACR1 1462/4885
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 ALDH1A1 584/4885SMN1; SMN2 293/4885TACR1 1486/4885
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 ALDH1A1 539/4885SMN1; SMN2 307/4885TACR1 1455/4885

“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.