SCHEMBL14775491

SCHEMBL14775491

CNCCC(c1ccc(OC)c(OC)c1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
SLC6A2 P23975 2/20 0.52
TP53 P04637 3/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.47
P4HB P07237 1/20 0.47
SMAD3 P84022 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL14775295 0.87 ALDH1A1 (0.53) ACHESLC6A2TP53ALDH1A1MEN1
SCHEMBL14775127 0.82 SLC6A2 (0.66) ACHESLC6A2TP53ALDH1A1SMN1; SMN2
SCHEMBL14775112 0.78 SLC6A2 (0.50) SLC6A2TP53MEN1KMT2AMAPT
SCHEMBL14775299 0.75 SLC6A2 (0.48) ACHESLC6A2TP53ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL14775011 0.74 SLC6A2 (0.47) ACHESLC6A2TP53ALDH1A1SMN1; SMN2
SCHEMBL30475844 0.73 ALDH1A1 (0.49) ACHESLC6A2TP53ALDH1A1SMN1; SMN2
SCHEMBL401565 0.72 SLC6A2 (0.67) SLC6A2ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL8238041 0.71 ACHE (0.60) ACHEALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL19407169 0.71 PPARG (0.51) ACHESLC6A2ALDH1A1SMN1; SMN2MEN1
SCHEMBL4786345 0.71 PPARG (0.51) ACHESLC6A2ALDH1A1SMN1; SMN2MEN1

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-2570409-B1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANT SHANGHAI INST PHARM INDUSTRY (CN) 2015-07-08 EP claimed
US-8962621-B2 Aralkyl diamine derivatives and uses thereof as antidepressants SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-02-24 US claimed
US-20130072488-A1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANTS SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-03-21 US claimed
EP-2570409-A1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANT Shanghai Institute of Pharmaceutical Industry (CN) 2013-03-20 EP claimed
EP-2570409-B1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANT SHANGHAI INST PHARM INDUSTRY (CN) 2015-07-08 EP disclosed
US-8962621-B2 Aralkyl diamine derivatives and uses thereof as antidepressants SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-02-24 US disclosed
US-20130072488-A1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANTS SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-03-21 US disclosed
EP-2570409-A1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANT Shanghai Institute of Pharmaceutical Industry (CN) 2013-03-20 EP 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 (1 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-20130072488-A1 ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANTS MAOA, SLC6A2, MAOB ACHE 39/4885SLC6A2 2/4885TP53 4885/4885

“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.