SCHEMBL14775248

SCHEMBL14775248

CN(CCC(c1c[nH]c2ccccc12)N1CCOCC1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
GPR84 Q9NQS5 2/20 0.41
FFAR1 O14842 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
KMT2A Q03164 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
HTR6 P50406 1/20 0.39
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL14775024 0.99 ALDH1A1 (0.48) ALDH1A1L3MBTL1SLC6A2SLC6A4GAA
SCHEMBL14775451 0.87 SLC6A4 (0.61) ALDH1A1L3MBTL1SLC6A2SLC6A4LMNA
SCHEMBL14775100 0.79 SLC6A4 (0.77) SLC6A2SLC6A4LMNABCHEACHE
Hydrochloric Acid SCHEMBL14775065 0.78 SLC6A4 (0.75) SLC6A2SLC6A4LMNABCHEACHE
SCHEMBL14775094 0.78 SLC6A2 (0.55) ALDH1A1L3MBTL1SLC6A2SLC6A4LMNA
SCHEMBL14775641 0.76 SLC6A2 (0.59) SLC6A2SLC6A4BCHEACHEMAPT
Hydrochloric Acid SCHEMBL14775456 0.75 SLC6A2 (0.58) SLC6A2SLC6A4BCHEACHEMAPT
SCHEMBL14775515 0.74 SLC6A2 (0.48) ALDH1A1L3MBTL1SLC6A2SLC6A4LMNA
Hydrochloric Acid SCHEMBL14775638 0.73 SLC6A2 (0.47) ALDH1A1L3MBTL1SLC6A2SLC6A4LMNA
SCHEMBL14775381 0.72 SLC6A2 (0.71) SLC6A2SLC6A4SIGMAR1

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 ALDH1A1 390/4885L3MBTL1 4808/4885SLC6A2 2/4885

“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.