SCHEMBL7119489

SCHEMBL7119489

OCCN1CCN(c2ccc(Nc3c4c(nc5ccccc35)CCCC4)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.58
BCHE P06276 3/20 0.58
KMT2A Q03164 2/20 0.58
KDM1A O60341 3/20 0.57
ADRA2A P08913 3/20 0.57
ADRA2B P18089 3/20 0.57
ADRA2C P18825 3/20 0.57
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
GFER P55789 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HRH3 Q9Y5N1 7/20 0.55
GLA P06280 1/20 0.55
SLC2A1 P11166 1/20 0.55

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
SCHEMBL7126445 0.87 KDM1A (0.72) ACHEKMT2AKDM1AADRA2AADRA2B
SCHEMBL7116931 0.86 KDM1A (0.71) ACHEKMT2AKDM1AADRA2AADRA2B
SCHEMBL7115518 0.86 KDM1A (0.76) KDM1AADRA2AADRA2BADRA2CHRH3
SCHEMBL14389067 0.74 KDM1A (0.84) KDM1AADRA2AADRA2BADRA2CHRH3
SCHEMBL7127013 0.73 KDM1A (0.67) KDM1AADRA2AADRA2BADRA2CHRH3
SCHEMBL7119337 0.73 ADRA2A (0.59) KDM1AADRA2AADRA2BADRA2CHRH3
SCHEMBL7121668 0.72 KDM1A (1.00) KDM1AADRA2AADRA2BADRA2CLMNA
SCHEMBL7124492 0.72 KDM1A (0.79) KDM1AADRA2AADRA2BADRA2CHRH3
SCHEMBL1664525 0.71 KDM1A (1.00) KDM1AADRA2AADRA2BADRA2CHRH3
SCHEMBL8523735 0.71 BCHE (0.78) ACHEBCHESLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ORION CORPORATION 2003-12-04 US claimed
EP-1263733-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION FARMOS (FI) 2002-12-11 EP claimed
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists OY JUVANTIA PHARMA LTD. (FI) 2001-11-29 US claimed
WO-2001064645-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION (FI) 2001-09-07 WO claimed
CN-1468224-A Quinoline derivatives as alpha-2 antagonists 2004-01-14 CN disclosed
US-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ORION CORPORATION 2003-12-04 US disclosed
US-6593324-B2 P-aminoanilino- derivatives ORION CORPORATION (FI) 2003-07-15 US disclosed
EP-1263733-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION FARMOS (FI) 2002-12-11 EP disclosed
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists OY JUVANTIA PHARMA LTD. (FI) 2001-11-29 US disclosed
WO-2001064645-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION (FI) 2001-09-07 WO 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-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 ACHE 490/4885BCHE 1817/4885KMT2A 1027/4885
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 ACHE 490/4885BCHE 1817/4885KMT2A 1027/4885

“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.