SCHEMBL1638437

SCHEMBL1638437

CCCN(CCC)CCCCNc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
BCHE P06276 4/20 0.49
ACHE P22303 4/20 0.49
ICMT O60725 2/20 0.48
ALB P02768 2/20 0.48
CACNA2D1 P54289 1/20 0.48
KCNH3 Q9ULD8 1/20 0.45
RORC P51449 1/20 0.43
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11307296 0.87 ALDH1A1 (0.50) ALDH1A1MAPTDRD2DRD4DRD3
SCHEMBL9186439 0.86 BCHE (0.59) ALDH1A1MAPTDRD3BCHEACHE
SCHEMBL251235 0.81 MAPT (0.59) ALDH1A1MAPTDRD3BCHEACHE
SCHEMBL96273 0.81 ALDH1A1 (0.70) ALDH1A1MAPTKCNH3L3MBTL1
SCHEMBL1014213 0.79 ALDH1A1 (0.67) ALDH1A1MAPTKCNH3L3MBTL1
SCHEMBL634068 0.79 ALDH1A1 (0.67) ALDH1A1MAPTKCNH3L3MBTL1
SCHEMBL177298 0.79 ALDH1A1 (0.67) ALDH1A1MAPTKCNH3L3MBTL1
SCHEMBL2732291 0.79 ALDH1A1 (0.67) ALDH1A1MAPTKCNH3L3MBTL1
SCHEMBL2888362 0.79 ALDH1A1 (0.67) ALDH1A1MAPTKCNH3L3MBTL1
SCHEMBL932541 0.79 ALDH1A1 (0.67) ALDH1A1MAPTKCNH3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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 (2 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 ALDH1A1 2045/4885MAPT 3333/4885DRD2 175/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 ALDH1A1 1901/4885MAPT 3184/4885DRD2 257/4885

“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.