SCHEMBL406615

SCHEMBL406615

CNCCC(c1ccc(C)c2ccccc12)n1nnc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.53
SLC6A2 P23975 12/20 0.53
SLC6A3 Q01959 6/20 0.53
CYP2D6 P10635 5/20 0.53
KCNH2 Q12809 3/20 0.34
HTR2A P28223 3/20 0.32
HRH1 P35367 3/20 0.32
CYP1A2 P05177 4/20 0.32
CYP3A4 P08684 3/20 0.30
CHRM1 P11229 2/20 0.30
TSHR P16473 2/20 0.30
ADRA2B P18089 2/20 0.30
HTR2C P28335 2/20 0.30
OPRM1 P35372 2/20 0.30
DRD3 P35462 2/20 0.30
OPRK1 P41145 2/20 0.30
HTR2B P41595 2/20 0.30
KLF10 Q13118 2/20 0.30
HRH3 Q9Y5N1 2/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL405098 0.88 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL401539 0.83 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3CYP2D6HTR2A
SCHEMBL407571 0.81 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL407330 0.80 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3CYP2D6HTR2A
SCHEMBL406242 0.77 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL406390 0.77 SLC6A2 (0.67) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL400931 0.76 SLC6A2 (0.65) SLC6A4SLC6A2SLC6A3CYP2D6TP53
SCHEMBL400946 0.74 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL407500 0.73 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL401528 0.73 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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 SLC6A4 47/4885SLC6A2 31/4885SLC6A3 7/4885
US-20100311789-A1 3-Substituted Propanamine Compounds ADRB3, PNMT, OPRK1 SLC6A4 47/4885SLC6A2 31/4885SLC6A3 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.