SCHEMBL406507

SCHEMBL406507

CN(C)CCC(c1ccc(F)c(F)c1)n1ccnn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.44
SLC6A4 P31645 8/20 0.44
SLC6A3 Q01959 7/20 0.44
ADRA1A P35348 2/20 0.39
MCHR1 Q99705 1/20 0.39
CYP19A1 P11511 6/20 0.38
DPP4 P27487 1/20 0.34
HTR2A P28223 3/20 0.33
HTR2C P28335 2/20 0.33
CHRM2 P08172 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
ADRA2B P18089 2/20 0.32
HRH2 P25021 2/20 0.32
HRH1 P35367 2/20 0.32
KCNH2 Q12809 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HTR1A P08908 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL400882 0.83 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP19A1HTR2A
SCHEMBL406304 0.83 CYP19A1 (0.55) SLC6A2SLC6A4SLC6A3ADRA1ACYP19A1
SCHEMBL407279 0.82 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ADRA1AMCHR1
SCHEMBL405235 0.81 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ADRA1ACYP19A1
SCHEMBL401391 0.80 CYP19A1 (0.53) SLC6A2SLC6A4SLC6A3ADRA1ACYP19A1
SCHEMBL407750 0.80 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3CYP19A1HTR2A
SCHEMBL403081 0.79 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ADRA1AHTR2A
SCHEMBL406167 0.73 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL406110 0.69 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3CYP19A1HTR2A
SCHEMBL3559530 0.68 ADRA1A (0.42) ADRA1AMCHR1CYP19A1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.