SCHEMBL407579

SCHEMBL407579

CN(C)CCC(c1ccccc1Cl)n1ncnn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.64
SLC6A4 P31645 11/20 0.64
SLC6A3 Q01959 9/20 0.64
CFD P00746 1/20 0.40
NISCH Q9Y2I1 1/20 0.36
CYP19A1 P11511 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
AOC3 Q16853 1/20 0.35
MC4R P32245 1/20 0.34
HTR2A P28223 2/20 0.34
HRH1 P35367 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 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
SCHEMBL406535 0.85 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3CYP19A1CYP2D6
SCHEMBL404850 0.83 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CFDCYP19A1
SCHEMBL407110 0.82 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3AOC3CYP2C9
SCHEMBL10123517 0.82 SLC6A4 (0.64) SLC6A2SLC6A4SLC6A3CYP19A1TAAR1
SCHEMBL25347589 0.79 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP19A1AOC3
SCHEMBL406496 0.79 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL401512 0.78 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3CYP19A1HTR2A
SCHEMBL407501 0.78 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CFDNISCH
SCHEMBL404888 0.78 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3CYP19A1CYP2D6
SCHEMBL407589 0.78 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3CYP19A1TAAR1

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 7 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
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-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
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.