SCHEMBL14775299

SCHEMBL14775299

COc1ccc(C(CCN(C)Cc2ccccc2)N2CCOCC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
ACHE P22303 2/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 2/20 0.42
BCHE P06276 1/20 0.42

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
Hydrochloric Acid SCHEMBL14775011 0.99 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ACHEMAPT
SCHEMBL14775125 0.89 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ACHEMAPT
Hydrochloric Acid SCHEMBL14775041 0.88 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ACHEALDH1A1
SCHEMBL14775376 0.86 SLC6A4 (0.64) SLC6A2SLC6A4SLC6A3ACHEMAPT
SCHEMBL14775127 0.84 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3ACHEMAPT
SCHEMBL14775381 0.83 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3
SCHEMBL14775175 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MAPTTP53
Hydrochloric Acid SCHEMBL14775544 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MAPTTP53
Hydrochloric Acid SCHEMBL14775226 0.75 BCHE (0.51) ACHEMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL14775491 0.75 ACHE (0.55) SLC6A2SLC6A4SLC6A3ACHEMAPT

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 SLC6A2 2/4885SLC6A4 5/4885SLC6A3 4/4885

“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.