SCHEMBL406400

SCHEMBL406400

CN(C)CCC(c1cc2ccccc2o1)n1cnnn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.52
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP26A1 O43174 2/20 0.37
MKNK1 Q9BUB5 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LTB4R Q15722 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
SCHEMBL407218 0.84 CYP19A1 (0.53) CYP19A1SLC6A2SLC6A4SLC6A3CYP26A1
SCHEMBL406307 0.79 SLC6A2 (0.64) CYP19A1SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL407732 0.76 SLC6A2 (0.41) CYP19A1SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL406401 0.71 CYP19A1 (0.44) CYP19A1SMN1; SMN2L3MBTL1HSD17B10CYP26A1
SCHEMBL407502 0.70 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1LTB4R
SCHEMBL407276 0.70 LTA4H (0.43) SLC6A2SLC6A4SLC6A3SMN1; SMN2ALDH1A1
SCHEMBL407149 0.69 SLC6A2 (0.44) CYP19A1SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL407279 0.69 SLC6A2 (0.42) CYP19A1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL405303 0.69 SLC6A2 (0.49) CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL403660 0.69 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3HSD17B10KDM4E

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 18 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-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 CYP19A1 3574/4885SLC6A2 31/4885SLC6A4 47/4885
US-20100311789-A1 3-Substituted Propanamine Compounds ADRB3, PNMT, OPRK1 CYP19A1 3574/4885SLC6A2 31/4885SLC6A4 47/4885

“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.