SCHEMBL6456643

SCHEMBL6456643

Cc1ccc(Oc2ncccc2C(=O)N[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.46
PDE10A Q9Y233 2/20 0.45
MCHR1 Q99705 3/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ADRA2A P08913 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KLK7 P49862 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL6456651 1.00 L3MBTL1 (0.49) L3MBTL1GAAPDE10AMCHR1CNR1
SCHEMBL6455456 0.95 MCHR1 (0.47) PDE10AMCHR1CNR1CNR2ADRA2A
SCHEMBL6455463 0.95 MCHR1 (0.47) PDE10AMCHR1CNR1CNR2ADRA2A
Hydrochloric Acid SCHEMBL6460175 0.94 MCHR1 (0.46) PDE10AMCHR1CNR1CNR2ADRA2A
Hydrochloric Acid SCHEMBL6460169 0.94 MCHR1 (0.46) PDE10AMCHR1CNR1CNR2ADRA2A
SCHEMBL6461557 0.90 L3MBTL1 (0.51) L3MBTL1GAAPDE10ACNR1CNR2
SCHEMBL6461551 0.90 L3MBTL1 (0.51) L3MBTL1GAAPDE10ACNR1CNR2
Hydrochloric Acid SCHEMBL6459423 0.89 L3MBTL1 (0.51) L3MBTL1GAAPDE10ACNR1CNR2
Hydrochloric Acid SCHEMBL6459414 0.89 L3MBTL1 (0.51) L3MBTL1GAAPDE10ACNR1CNR2
SCHEMBL6463808 0.86 KDM4E (0.51) L3MBTL1PDE10ACNR1CNR2MEN1

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 L3MBTL1 3949/4885GAA 484/4885PDE10A 1335/4885

“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.