SCHEMBL7129284

SCHEMBL7129284

CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 1.00
ADRA2B P18089 4/20 1.00
ADRA2C P18825 4/20 1.00
RAD52 P43351 2/20 0.76
MITF O75030 1/20 0.76
MAPKAPK2 P49137 14/20 0.73
GFER P55789 1/20 0.71
KDM1A O60341 1/20 0.63
GLA P06280 1/20 0.63
SLC2A1 P11166 1/20 0.63
RECQL P46063 1/20 0.63
BLM P54132 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ADRB2 P07550 1/20 0.60
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD1 P21728 1/20 0.60
SLC6A2 P23975 1/20 0.60
ADRA1D P25100 1/20 0.60
HTR1D P28221 1/20 0.60

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
SCHEMBL13799678 0.86 ADRA2A (0.75) ADRA2AADRA2BADRA2CRAD52MITF
SCHEMBL4149672 0.85 MAPKAPK2 (1.00) ADRA2AADRA2BADRA2CRAD52MAPKAPK2
SCHEMBL27210436 0.85 ADRA2A (0.73) ADRA2AADRA2BADRA2CRAD52MITF
SCHEMBL15190808 0.84 ADRA2A (0.72) ADRA2AADRA2BADRA2CRAD52MITF
SCHEMBL4141126 0.83 MAPKAPK2 (0.96) ADRA2AADRA2BADRA2CRAD52MAPKAPK2
SCHEMBL14758370 0.83 RAD52 (1.00) ADRA2AADRA2BADRA2CRAD52MAPKAPK2
SCHEMBL13905989 0.83 MAPKAPK2 (0.84) ADRA2AADRA2BADRA2CRAD52MITF
SCHEMBL4153294 0.82 MAPKAPK2 (0.83) ADRA2AADRA2BADRA2CRAD52MAPKAPK2
SCHEMBL4150135 0.82 MAPKAPK2 (0.75) ADRA2AADRA2BADRA2CRAD52MAPKAPK2
SCHEMBL15191556 0.81 ADRA2A (0.69) ADRA2AADRA2BADRA2CRAD52MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885ADRA2B 5/4885ADRA2C 6/4885
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 ADRA2A 2/4885ADRA2B 5/4885ADRA2C 6/4885

“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.