SCHEMBL14775656

SCHEMBL14775656

CN(C)CCC(c1ccc2c(c1)CCO2)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.63
SLC6A4 P31645 8/20 0.63
SLC6A3 Q01959 5/20 0.63
MAPT P10636 1/20 0.48
TP53 P04637 3/20 0.46
OGA O60502 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL14775175 0.86 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MAPTTP53
Hydrochloric Acid SCHEMBL14775544 0.85 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MAPTTP53
SCHEMBL14775112 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPTTP53
SCHEMBL14775127 0.78 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3MAPTTP53
SCHEMBL14775025 0.78 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MAPTTP53
SCHEMBL14775366 0.77 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3MAPTTP53
SCHEMBL14775389 0.76 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3MAPTTP53
SCHEMBL14775303 0.74 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3MAPTTP53
SCHEMBL14775432 0.71 SLC6A4 (0.86) SLC6A2SLC6A4SLC6A3MAPTTP53
SCHEMBL14775154 0.68 SLC6A4 (0.83) SLC6A2SLC6A4SLC6A3MAPTTP53

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.