SCHEMBL3301062

SCHEMBL3301062

CN(C)CCOc1cnc(Br)cn1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.56
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
TDO2 P48775 1/20 0.36

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
SCHEMBL2629004 0.82 HTR7 (0.41) HTR7MAPT
SCHEMBL12301543 0.79 HTR7 (0.45) HTR7CHRNB2CHRNA4MAPTHRH3
SCHEMBL22518694 0.79 GABRP (0.38) HTR7CHRNB2CHRNA4MAPT
SCHEMBL30181381 0.78 HTR7 (0.44) HTR7CHRNB2CHRNA4MAPTTDO2
SCHEMBL14992817 0.78 HTR7 (0.44) HTR7CHRNB2CHRNA4MAPTHRH3
SCHEMBL608748 0.78 HTR7 (0.44) HTR7CHRNB2CHRNA4MAPTTDO2
SCHEMBL16631943 0.77 GABRP (0.40) MAPT
SCHEMBL14992866 0.77 PIK3CD (0.35) HTR7
SCHEMBL1181640 0.76 HTR7 (0.54) HTR7CHRNB2CHRNA4TDO2
SCHEMBL22518736 0.74 EPHX2 (0.38) HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11071736-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION 2021-07-27 US disclosed
US-10588909-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2020-03-17 US disclosed
EP-2785714-B1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2018-11-21 EP disclosed
US-20180318310-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR DEVELOPMENT CENTER OF BIOTECHNOLOGY (TW) 2018-11-08 US disclosed
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2015-09-10 US disclosed
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2015-09-10 US disclosed
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2015-09-10 US disclosed
US-8999983-B2 Modulators of Hec1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2015-04-07 US disclosed
US-8999983-B2 Modulators of Hec1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2015-04-07 US disclosed
US-8999983-B2 Modulators of Hec1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2015-04-07 US disclosed
EP-2785714-A1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR Taivex Therapeutics Corporation (TW) 2014-10-08 EP disclosed
US-20130190312-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2013-07-25 US disclosed
US-20130190312-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2013-07-25 US disclosed
US-20130190312-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2013-07-25 US disclosed
WO-2013082324-A1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2013-06-06 WO disclosed
WO-2013082324-A1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2013-06-06 WO disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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 (6 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-20180318310-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 HTR7 1448/4885CHRNB2 2242/4885CHRNA4 2842/4885
US-20130190312-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 HTR7 1448/4885CHRNB2 2242/4885CHRNA4 2842/4885
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 HTR7 3217/4885CHRNB2 3440/4885CHRNA4 2408/4885
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 HTR7 1448/4885CHRNB2 2242/4885CHRNA4 2842/4885
US-10588909-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 HTR7 1448/4885CHRNB2 2242/4885CHRNA4 2842/4885
US-11071736-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 HTR7 1448/4885CHRNB2 2242/4885CHRNA4 2842/4885

“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.