SCHEMBL14775451

SCHEMBL14775451

CN(C)CCC(c1c[nH]c2ccccc12)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.61
SLC6A2 P23975 4/20 0.61
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC6A3 Q01959 2/20 0.48
GPR84 Q9NQS5 3/20 0.45
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
FFAR1 O14842 2/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 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
SCHEMBL14775248 0.87 ALDH1A1 (0.49) SLC6A4SLC6A2ALDH1A1L3MBTL1GPR84
Hydrochloric Acid SCHEMBL14775024 0.86 ALDH1A1 (0.48) SLC6A4SLC6A2ALDH1A1L3MBTL1GPR84
SCHEMBL14775094 0.83 SLC6A2 (0.55) SLC6A4SLC6A2ALDH1A1L3MBTL1GPR84
SCHEMBL14775059 0.76 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL2073839 0.71 SLC6A4 (0.66) SLC6A4SLC6A2ALDH1A1L3MBTL1GPR84
SCHEMBL22640038 0.71 ALDH1A1 (0.57) ALDH1A1L3MBTL1GPR84FFAR1CYP2D6
SCHEMBL22639966 0.71 ALDH1A1 (0.57) ALDH1A1L3MBTL1GPR84FFAR1CYP2D6
SCHEMBL14775548 0.70 SLC6A4 (0.87) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL14775499 0.69 SLC6A2 (0.70) SLC6A4SLC6A2ALDH1A1SLC6A3MAPT
SCHEMBL14775366 0.69 SLC6A2 (0.67) SLC6A4SLC6A2L3MBTL1SLC6A3MAPT

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 SLC6A4 5/4885SLC6A2 2/4885ALDH1A1 390/4885

“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.