SCHEMBL406652

SCHEMBL406652

CNC(CCn1nnc(C)n1)c1cc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4A O75164 1/20 0.39
CYP2D6 P10635 3/20 0.38
HIF1A Q16665 1/20 0.38
CYP19A1 P11511 4/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TRPA1 O75762 1/20 0.33
MAOB P27338 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 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
SCHEMBL407733 0.81 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL407219 0.75 CYP19A1 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL406651 0.73 SLC6A2 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2074391 0.71 CYP2D6 (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6612649 0.70 CYP2D6 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6608286 0.70 CYP2D6 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6610236 0.70 CYP2D6 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL407732 0.68 SLC6A2 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL178528 0.63 CYP2D6 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL406308 0.61 CYP26A1 (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 NPC1 2267/4885RAB9A 608/4885SMN1; SMN2 397/4885
US-20100311789-A1 3-Substituted Propanamine Compounds ADRB3, PNMT, OPRK1 NPC1 2267/4885RAB9A 608/4885SMN1; SMN2 397/4885

“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.