SCHEMBL403915

SCHEMBL403915

CNCC[C@H](c1ccc(Cl)c(Cl)c1)n1nc2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.66
SLC6A2 P23975 10/20 0.66
SLC6A3 Q01959 10/20 0.66
CYP2D6 P10635 4/20 0.66
KCNH2 Q12809 4/20 0.41
CYP3A4 P08684 3/20 0.41
NOS2 P35228 1/20 0.39

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
SCHEMBL403104 1.00 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL407245 1.00 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL405838 0.83 SLC6A2 (0.67) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL405401 0.82 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL405374 0.82 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL17029934 0.82 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL403169 0.82 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL403744 0.82 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL406641 0.80 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL401682 0.80 SLC6A4 (1.00) 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 12 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 claimed
EP-2285787-A2 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK Holdings Co., Ltd. (KR) 2011-02-23 EP claimed
US-20100311789-A1 3-Substituted Propanamine Compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2010-12-09 US claimed
WO-2009148290-A2 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2009-12-10 WO claimed
EP-2285787-B1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2015-08-26 EP disclosed
CN-102026988-B 3-substituted propanamines SK HOLDINGS CO LTD 2013-07-03 CN 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 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.