SCHEMBL7123693

SCHEMBL7123693

CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 1.00
ADRA2C P18825 12/20 1.00
ADRA2B P18089 8/20 0.80
KDM1A O60341 10/20 0.72
GLA P06280 1/20 0.72
SLC2A1 P11166 1/20 0.72
RECQL P46063 1/20 0.72
BLM P54132 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
ADRB2 P07550 1/20 0.69
CHRM2 P08172 1/20 0.69
CHRM1 P11229 1/20 0.69
DRD1 P21728 1/20 0.69
SLC6A2 P23975 1/20 0.69
ADRA1D P25100 1/20 0.69
HTR1D P28221 1/20 0.69
SLC6A4 P31645 1/20 0.69
HTR7 P34969 1/20 0.69
ADRA1A P35348 1/20 0.69
HRH1 P35367 1/20 0.69

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
SCHEMBL6922102 0.96 ADRA2A (0.92) ADRA2AADRA2CADRA2BKDM1AGLA
SCHEMBL7121655 0.87 ADRA2A (0.77) ADRA2AADRA2CADRA2BKDM1AGLA
SCHEMBL7127774 0.86 ADRA2A (1.00) ADRA2AADRA2CADRA2BKDM1AGLA
SCHEMBL6824787 0.86 ADRA2A (0.84) ADRA2AADRA2CADRA2B
SCHEMBL6919721 0.85 ADRA2C (0.92) ADRA2AADRA2CADRA2BKDM1AGLA
SCHEMBL1664525 0.84 KDM1A (1.00) ADRA2AADRA2CADRA2BKDM1AGLA
SCHEMBL7124481 0.83 ADRA2A (0.72) ADRA2AADRA2CADRA2BKDM1AGLA
SCHEMBL7123676 0.83 ADRA2A (0.71) ADRA2AADRA2CADRA2BKDM1AGLA
SCHEMBL6821547 0.83 ADRA2A (1.00) ADRA2AADRA2CADRA2BKDM1AGLA
SCHEMBL7130095 0.82 ADRA2A (1.00) ADRA2AADRA2CADRA2BKDM1AGLA

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
US-6593324-B2 P-aminoanilino- derivatives ORION CORPORATION (FI) 2003-07-15 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
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 6/4885ADRA2B 5/4885
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 ADRA2A 2/4885ADRA2C 6/4885ADRA2B 5/4885

“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.