SCHEMBL7125219

SCHEMBL7125219

CN1CCN(c2ccc(NCc3c4ccccc4nc4ccccc34)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.67
ADRA2C P18825 10/20 0.67
KDM1A O60341 8/20 0.67
ADRA2B P18089 7/20 0.67
GLA P06280 1/20 0.67
SLC2A1 P11166 1/20 0.67
RECQL P46063 1/20 0.67
BLM P54132 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
ADRB2 P07550 1/20 0.64
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
DRD1 P21728 1/20 0.64
SLC6A2 P23975 1/20 0.64
ADRA1D P25100 1/20 0.64
HTR1D P28221 1/20 0.64
SLC6A4 P31645 1/20 0.64
HTR7 P34969 1/20 0.64
ADRA1A P35348 1/20 0.64
HRH1 P35367 1/20 0.64

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
SCHEMBL7124481 0.87 ADRA2A (0.72) ADRA2AADRA2CKDM1AADRA2BGLA
SCHEMBL1664525 0.80 KDM1A (1.00) ADRA2AADRA2CKDM1AADRA2BGLA
SCHEMBL30855058 0.76 GAA (0.60) TDP1HTR6KDM4EALDH1A1LMNA
SCHEMBL7123693 0.74 ADRA2A (1.00) ADRA2AADRA2CKDM1AADRA2BGLA
SCHEMBL7127754 0.72 ADRA2A (1.00) ADRA2AADRA2CKDM1AADRA2BGLA
SCHEMBL7127774 0.72 ADRA2A (1.00) ADRA2AADRA2CKDM1AADRA2BGLA
SCHEMBL7125223 0.72 KDM1A (0.60) ADRA2AADRA2CKDM1AADRA2BGLA
SCHEMBL24641958 0.71 HTR6 (0.62) ADRA2CKDM1AADRA2BSLC6A2HTR1D
SCHEMBL10062324 0.71 POLB (0.46) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL6922102 0.71 ADRA2A (0.92) ADRA2AADRA2CKDM1AADRA2BGLA

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
CN-1468224-A Quinoline derivatives as alpha-2 antagonists 2004-01-14 CN claimed
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 ADRA2A 2/4885ADRA2C 6/4885KDM1A 1512/4885
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 ADRA2A 2/4885ADRA2C 6/4885KDM1A 1512/4885

“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.