SCHEMBL403660

SCHEMBL403660

COc1cc2c(OC)cccc2cc1C(CCN(C)C)n1cnnn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LTB4R Q15722 1/20 0.34
HTR6 P50406 1/20 0.32
HTR1B P28222 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTR7 P34969 2/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL407234 0.86 SLC6A4 (0.42) ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL405209 0.81 SLC6A2 (0.54) ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL406400 0.69 CYP19A1 (0.52) ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL407204 0.67 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL406421 0.66 SLC6A4 (0.48) ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL407502 0.66 SLC6A2 (0.43) ALDH1A1SLC6A2SLC6A4SLC6A3LTB4R
SCHEMBL23980607 0.66 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17023206 0.65 KDM4E (0.38) ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL407149 0.65 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL405303 0.65 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101642-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-01-24 US claimed
EP-2285787-A2 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK Holdings Co., Ltd. (KR) 2011-02-23 EP claimed
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 ALDH1A1 177/4885SLC6A2 31/4885SLC6A4 47/4885
US-20100311789-A1 3-Substituted Propanamine Compounds ADRB3, PNMT, OPRK1 ALDH1A1 177/4885SLC6A2 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.