SCHEMBL407511

SCHEMBL407511

Cc1ccc(C(CCN(C)C)n2nccn2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.49
SLC6A4 P31645 12/20 0.49
SLC6A3 Q01959 10/20 0.49
HRH1 P35367 5/20 0.34
HTR2A P28223 4/20 0.34
UTS2R Q9UKP6 4/20 0.34
CHRM2 P08172 5/20 0.33
SCN1A P35498 3/20 0.33
SCN2A Q99250 3/20 0.33
SCN3A Q9NY46 3/20 0.33
CHRM1 P11229 4/20 0.33
KCNH2 Q12809 4/20 0.33
HRH3 Q9Y5N1 4/20 0.33
ADRA2B P18089 3/20 0.33
CYP2D6 P10635 2/20 0.33
NFKB1 P19838 2/20 0.33
THPO P40225 2/20 0.33
DRD1 P21728 2/20 0.33
HTR2C P28335 2/20 0.33
CHRM5 P08912 2/20 0.33

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
SCHEMBL407031 0.83 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3HRH1HTR2A
SCHEMBL403081 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HRH1HTR2A
SCHEMBL402344 0.81 SLC6A4 (0.72) SLC6A2SLC6A4SLC6A3HRH1HTR2A
SCHEMBL406384 0.80 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3UTS2R
SCHEMBL401510 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HRH1HTR2A
SCHEMBL407176 0.78 HRH1 (0.55) SLC6A2SLC6A4SLC6A3HRH1HTR2A
SCHEMBL403932 0.78 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HRH1HTR2A
SCHEMBL400882 0.78 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HRH1HTR2A
SCHEMBL405226 0.77 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR2AUTS2R
SCHEMBL404881 0.77 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3UTS2RHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285787-A2 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK Holdings Co., Ltd. (KR) 2011-02-23 EP claimed
EP-2285787-B1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2015-08-26 EP disclosed
EP-2285787-B1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2015-08-26 EP disclosed
US-8404730-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-03-26 US disclosed
US-8404730-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-03-26 US disclosed
US-8404730-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-03-26 US disclosed
US-20120046312-A1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-02-23 US disclosed
US-20120046312-A1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-02-23 US disclosed
US-20120046312-A1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-02-23 US disclosed
US-8101642-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-01-24 US disclosed
US-8101642-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-01-24 US disclosed
US-8101642-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-01-24 US disclosed
EP-2285787-A2 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK Holdings Co., Ltd. (KR) 2011-02-23 EP disclosed
US-20100311789-A1 3-Substituted Propanamine Compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2010-12-09 US disclosed
US-20100311789-A1 3-Substituted Propanamine Compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2010-12-09 US disclosed
US-20100311789-A1 3-Substituted Propanamine Compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2010-12-09 US disclosed
WO-2009148290-A2 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2009-12-10 WO disclosed
WO-2009148290-A2 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2009-12-10 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 (2 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-20120046312-A1 3-SUBSTITUTED PROPANAMINE COMPOUNDS ADRB3, PNMT, OPRK1 SLC6A2 31/4885SLC6A4 47/4885SLC6A3 7/4885
US-20100311789-A1 3-Substituted Propanamine Compounds ADRB3, PNMT, OPRK1 SLC6A2 31/4885SLC6A4 47/4885SLC6A3 7/4885

“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.