SCHEMBL14775208

SCHEMBL14775208

CNCCC(c1cc2ccccc2s1)N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.68
SLC6A4 P31645 3/20 0.68
SLC6A3 Q01959 2/20 0.68
ADRB2 P07550 1/20 0.40
CYP2A6 P11509 1/20 0.40
SIGMAR1 Q99720 7/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
KMT2A Q03164 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
SCHEMBL14776011 0.99 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3ADRB2CYP2A6
SCHEMBL14775525 0.88 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3ADRB2CYP2A6
SCHEMBL14775254 0.82 SLC6A2 (0.97) SLC6A2SLC6A4SLC6A3SIGMAR1MEN1
SCHEMBL14775427 0.81 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL14775624 0.77 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3SIGMAR1MEN1
Hydrochloric Acid SCHEMBL14775446 0.76 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3SIGMAR1MEN1
SCHEMBL14775382 0.75 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3SIGMAR1MEN1
SCHEMBL407383 0.75 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3ADRB2CYP2A6
Hydrochloric Acid SCHEMBL14775055 0.75 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3SIGMAR1MEN1
SCHEMBL407344 0.74 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ADRB2CYP2A6

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 11 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
CN-102241664-A Aralkyl diamine derivatives and use thereof as antidepressants SHANGHAI INST PHARM INDUSTRY 2011-11-16 CN 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.