SCHEMBL6458047

SCHEMBL6458047

CCOc1cc(CN[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.43
ACHE P22303 4/20 0.43
APP P05067 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
EHMT2 Q96KQ7 1/20 0.39
SSTR5 P35346 3/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
MITF O75030 1/20 0.39
APAF1 O14727 1/20 0.38

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
SCHEMBL6872433 1.00 BCHE (0.43) BCHEACHEAPPMEN1KMT2A
SCHEMBL6876922 0.90 BCHE (0.41) BCHEACHEAPPKMT2AKDM4E
SCHEMBL6464230 0.90 BCHE (0.41) BCHEACHEAPPKMT2AKDM4E
SCHEMBL6875695 0.86 ALDH1A1 (0.52) BCHEACHEAPPMEN1KMT2A
SCHEMBL6875692 0.86 ALDH1A1 (0.52) BCHEACHEAPPMEN1KMT2A
SCHEMBL6458901 0.85 ALDH1A1 (0.41) BCHEACHEAPPMEN1KMT2A
SCHEMBL6458932 0.85 ALDH1A1 (0.41) BCHEACHEAPPMEN1KMT2A
SCHEMBL6878336 0.85 ALDH1A1 (0.43) KDM4EALDH1A1HRH1HTR2B
SCHEMBL6878342 0.85 ALDH1A1 (0.43) KDM4EALDH1A1HRH1HTR2B
SCHEMBL13793387 0.83 APP (0.60) BCHEACHEAPPSSTR5HRH1

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 BCHE 119/4885ACHE 197/4885APP 483/4885

“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.