SCHEMBL406401

SCHEMBL406401

CN(C)C(CCn1cnnn1)c1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.44
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP26A1 O43174 1/20 0.37
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 2/20 0.35
LTA4H P09960 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL407219 0.81 CYP19A1 (0.44) CYP19A1ALDH1A1MEN1KMT2ACYP26A1
SCHEMBL406308 0.79 CYP26A1 (0.37) CYP19A1MEN1KMT2ACYP26A1CYP2D6
SCHEMBL407733 0.75 NPC1 (0.40) CYP19A1ALDH1A1MEN1KMT2ACYP26A1
SCHEMBL406400 0.71 CYP19A1 (0.52) CYP19A1ALDH1A1CYP26A1CYP2D6HIF1A
SCHEMBL407218 0.68 CYP19A1 (0.53) CYP19A1MEN1KMT2ACYP26A1CYP2D6
Hydrochloric Acid SCHEMBL11203801 0.66 CYP2A6 (0.42) ALDH1A1MEN1KMT2ACYP2D6HIF1A
SCHEMBL12896041 0.63 CYP2D6 (0.49) CYP26A1CYP2D6HIF1ALMNASMN1; SMN2
SCHEMBL406307 0.62 SLC6A2 (0.64) CYP19A1ALDH1A1CYP26A1CYP2D6HIF1A
SCHEMBL10370955 0.61 CYP2D6 (0.48) ALDH1A1MEN1KMT2ACYP26A1CYP2D6
SCHEMBL12086996 0.60 TAS1R3 (0.50) ALDH1A1MEN1KMT2ACYP26A1CYP2D6

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 8 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
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 3574/4885ALDH1A1 177/4885MEN1 2805/4885
US-20100311789-A1 3-Substituted Propanamine Compounds ADRB3, PNMT, OPRK1 CYP19A1 3574/4885ALDH1A1 177/4885MEN1 2805/4885

“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.