SCHEMBL83254

SCHEMBL83254

CS(=O)(=O)c1ccccc1OC1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.54
HTR1A P08908 4/20 0.50
SLC6A2 P23975 4/20 0.50
SLC6A3 Q01959 2/20 0.50
HSP90AB1 P08238 2/20 0.44
TOP2A P11388 2/20 0.44
EPHX2 P34913 1/20 0.43
HTR6 P50406 3/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A4 P31645 1/20 0.41

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
Hydrochloric Acid SCHEMBL72840 0.98 HRH1 (0.53) HRH1HTR1ASLC6A2SLC6A3HSP90AB1
SCHEMBL14900190 0.84 EPHX2 (0.45) EPHX2ADRA2AADRA2BADRA2C
SCHEMBL3125928 0.81 EPHX2 (0.43) HRH1HTR1AEPHX2ADRA2AADRA2B
SCHEMBL4106320 0.76 EPHX2 (0.57) HRH1EPHX2
SCHEMBL14240224 0.76 IKBKB (0.45)
SCHEMBL1229562 0.75 HRH1 (0.62) HRH1HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL1780546 0.75 HRH1 (0.62) HRH1HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL14413163 0.75 EPHX2 (0.56) HRH1EPHX2
SCHEMBL5365259 0.74 HRH1 (0.57) HRH1HTR1ASLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3467493 0.73 HRH1 (0.60) HRH1HTR1ASLC6A2SLC6A3HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 US disclosed
EP-1902051-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2008-03-26 EP disclosed
WO-2006130986-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2006-12-14 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 (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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 HRH1 3572/4885HTR1A 4153/4885SLC6A2 4356/4885
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 HRH1 4037/4885HTR1A 2883/4885SLC6A2 4749/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I HRH1 1289/4885HTR1A 391/4885SLC6A2 475/4885

“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.