SCHEMBL406121

SCHEMBL406121

CN(C)CCC(c1ccc(Cl)c(Cl)c1)n1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.55
SLC6A4 P31645 12/20 0.55
SLC6A3 Q01959 11/20 0.55
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AGTR1 P30556 1/20 0.35
SLC9A1 P19634 1/20 0.35

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
SCHEMBL403744 0.79 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3POLBHTT
SCHEMBL5858816 0.74 ACHE (0.43) POLBALDH1A1
Hydrochloric Acid SCHEMBL5859902 0.73 ACHE (0.42) POLBCYP2D6ALDH1A1
SCHEMBL407422 0.73 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3POLBHTT
SCHEMBL402709 0.72 SLC6A4 (0.70) SLC6A2SLC6A4SLC6A3POLBHTT
SCHEMBL402344 0.72 SLC6A4 (0.72) SLC6A2SLC6A4SLC6A3POLBHTT
SCHEMBL404888 0.71 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3POLBHTT
SCHEMBL14775283 0.70 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL5924648 0.69 SLC9A1 (0.38) POLBCYP2D6ALDH1A1SLC9A1
SCHEMBL17029949 0.69 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3POLBHTT

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.