SCHEMBL407219

SCHEMBL407219

CNC(CCn1cnnn1)c1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.44
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP26A1 O43174 1/20 0.37
TP53 P04637 2/20 0.36
PPARG P37231 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
LMNA P02545 2/20 0.35
LTB4R Q15722 1/20 0.35
THRB P10828 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIRT2 Q8IXJ6 1/20 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
SCHEMBL406401 0.81 CYP19A1 (0.44) CYP19A1CYP2D6HIF1AALDH1A1MEN1
SCHEMBL406652 0.75 NPC1 (0.42) CYP19A1CYP2D6HIF1AALDH1A1MEN1
SCHEMBL407218 0.72 CYP19A1 (0.53) CYP19A1CYP2D6HIF1AMEN1KMT2A
SCHEMBL2074391 0.71 CYP2D6 (0.45) CYP2D6HIF1AALDH1A1MEN1KMT2A
SCHEMBL6612649 0.70 CYP2D6 (0.49) CYP2D6HIF1AALDH1A1MEN1KMT2A
SCHEMBL6610236 0.70 CYP2D6 (0.49) CYP2D6HIF1AALDH1A1MEN1KMT2A
SCHEMBL6608286 0.70 CYP2D6 (0.49) CYP2D6HIF1AALDH1A1MEN1KMT2A
SCHEMBL406400 0.67 CYP19A1 (0.52) CYP19A1CYP2D6HIF1AALDH1A1CYP26A1
SCHEMBL178528 0.64 CYP2D6 (0.50) CYP19A1CYP2D6HIF1AALDH1A1MEN1
SCHEMBL12896041 0.63 CYP2D6 (0.49) CYP2D6HIF1ACYP26A1LMNASMN1; SMN2

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 10 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
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
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 CYP19A1 3574/4885CYP2D6 422/4885HIF1A 2204/4885
US-20100311789-A1 3-Substituted Propanamine Compounds ADRB3, PNMT, OPRK1 CYP19A1 3574/4885CYP2D6 422/4885HIF1A 2204/4885

“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.