SCHEMBL493017

SCHEMBL493017

CN(C)c1ccccc1CC1CCC(N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR1A P08908 4/20 0.38
ADRA2A P08913 4/20 0.38
ADRA2B P18089 4/20 0.38
ADRA2C P18825 4/20 0.38
KCNH2 Q12809 1/20 0.38
CHEK1 O14757 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MERTK Q12866 3/20 0.38
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GLI1 P08151 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6258814 0.82 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3HTR1AADRA2A
SCHEMBL4223375 0.78 AR (0.41) SLC6A4SLC6A2SLC6A3HTR1AADRA2A
SCHEMBL342395 0.77 HTR1A (0.34) SLC6A4SLC6A2SLC6A3HTR1AADRA2A
SCHEMBL1431217 0.76 ACHE (0.46) OPRL1ALDH1A1GLI1CYP3A4CYP2D6
SCHEMBL4223113 0.72 TDP1 (0.41) ALDH1A1BRD4
SCHEMBL10622692 0.71 CYP3A4 (0.42) KCNH2ALDH1A1CYP3A4
SCHEMBL4221643 0.70 CYP4F2 (0.44) ALDH1A1CYP3A4CYP2D6
SCHEMBL6160526 0.70 GBA1 (0.59) ALDH1A1
SCHEMBL4203449 0.70 GBA1 (0.59) ALDH1A1
SCHEMBL10512317 0.69 KEAP1 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD SLC6A4 2704/4885SLC6A2 2372/4885SLC6A3 3945/4885

“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.