SCHEMBL6457489

SCHEMBL6457489

COc1cc(CNCC2CCC(Nc3nccc(N(C)C)n3)CC2)cc(I)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
BACE1 P56817 1/20 0.40
TRPV1 Q8NER1 2/20 0.38
MCHR1 Q99705 6/20 0.36
ADRA2A P08913 2/20 0.36
NPY5R Q15761 1/20 0.36
MELK Q14680 5/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CNR1 P21554 1/20 0.33
KCNH2 Q12809 1/20 0.33
AURKB Q96GD4 1/20 0.33
APP P05067 1/20 0.33
BCHE P06276 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL6457478 1.00 ACHE (0.40) ACHEBACE1TRPV1MCHR1ADRA2A
SCHEMBL6875018 0.94 ACHE (0.43) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6875044 0.94 ACHE (0.43) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6877765 0.91 MCHR1 (0.42) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6877759 0.91 MCHR1 (0.42) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6877140 0.90 ACHE (0.42) ACHEBACE1TRPV1MCHR1CNR1
SCHEMBL6877144 0.90 ACHE (0.42) ACHEBACE1TRPV1MCHR1CNR1
SCHEMBL6873495 0.88 ACHE (0.51) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6873488 0.88 ACHE (0.51) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6467019 0.86 ACHE (0.51) ACHEBACE1MCHR1ADRA2ANPY5R

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
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ACHE 197/4885BACE1 228/4885TRPV1 1001/4885

“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.