SCHEMBL5572603

SCHEMBL5572603

NC1(c2ccc(N3CCOCC3)cc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
AKT1 P31749 2/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
LGMN Q99538 1/20 0.44

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
SCHEMBL18742498 0.95 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3AKT1MEN1
SCHEMBL18769622 0.84 ALDH1A1 (0.52) MEN1NPC1ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL18742541 0.82 ALDH1A1 (0.55) MEN1NPC1ALDH1A1MAPTHTT
SCHEMBL5572597 0.76 LMNA (0.55) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL9092806 0.75 LMNA (0.60) MEN1NPC1ALDH1A1CYP1A2MAPT
SCHEMBL6245150 0.75 LMNA (0.60) MEN1NPC1ALDH1A1CYP1A2MAPT
SCHEMBL9093746 0.74 LMNA (0.71) MEN1NPC1ALDH1A1CYP1A2MAPT
SCHEMBL4699438 0.73 AGXT (0.54) SLC6A2SLC6A4SLC6A3AKT1MEN1
SCHEMBL2175616 0.72 LMNA (0.62) MEN1NPC1ALDH1A1CYP1A2MAPT
SCHEMBL18769493 0.72 HPGD (0.40) AKT1NPC1ALDH1A1CYP1A2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 EP claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US 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-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 SLC6A2 3205/4885SLC6A4 3073/4885SLC6A3 2365/4885

“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.