SCHEMBL14775427

SCHEMBL14775427

CN(C)CCC(c1cc2ccccc2s1)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 1.00
SLC6A4 P31645 9/20 1.00
SLC6A3 Q01959 6/20 1.00
ALOX5 P09917 3/20 0.38
CYP1A2 P05177 2/20 0.38
PTGES O14684 1/20 0.38
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
ALOX5AP P20292 1/20 0.38
LOX P28300 1/20 0.38
EPHX2 P34913 1/20 0.38
PTGS2 P35354 1/20 0.38
LTB4R Q15722 1/20 0.38

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
SCHEMBL14775254 0.99 SLC6A2 (0.97) SLC6A2SLC6A4SLC6A3
SCHEMBL14775454 0.89 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL14775382 0.86 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL14775624 0.85 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL14775055 0.85 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL14775446 0.84 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL14776011 0.82 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3
SCHEMBL14775208 0.81 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3
SCHEMBL14775368 0.76 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3GAA
SCHEMBL402249 0.76 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3ALOX5CYP1A2

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-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
CN-102241664-B Aralkyl diamine derivatives and use thereof as antidepressants SHANGHAI INST PHARM INDUSTRY 2014-11-12 CN 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
CN-102241664-B Aralkyl diamine derivatives and use thereof as antidepressants SHANGHAI INST PHARM INDUSTRY 2014-11-12 CN 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.