SCHEMBL6455463

SCHEMBL6455463

CN(C)c1cc(NC2CCC(NC(=O)c3cccnc3Oc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.47
CNR2 P34972 3/20 0.46
CNR1 P21554 2/20 0.46
PDE10A Q9Y233 1/20 0.46
ADRA2A P08913 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK8 P45983 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KLK7 P49862 1/20 0.43
TYK2 P29597 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6455456 1.00 MCHR1 (0.47) MCHR1CNR2CNR1PDE10AADRA2A
Hydrochloric Acid SCHEMBL6460169 0.99 MCHR1 (0.46) MCHR1CNR2CNR1PDE10AADRA2A
Hydrochloric Acid SCHEMBL6460175 0.99 MCHR1 (0.46) MCHR1CNR2CNR1PDE10AADRA2A
SCHEMBL6456643 0.95 L3MBTL1 (0.49) MCHR1CNR2CNR1PDE10AADRA2A
SCHEMBL6456651 0.95 L3MBTL1 (0.49) MCHR1CNR2CNR1PDE10AADRA2A
Hydrochloric Acid SCHEMBL6461570 0.89 MAPK8 (0.46) MCHR1ADRA2AALDH1A1MAPK8
Hydrochloric Acid SCHEMBL6461571 0.89 MAPK8 (0.46) MCHR1ADRA2AALDH1A1MAPK8
SCHEMBL6463804 0.89 KDM4E (0.51) CNR2CNR1PDE10AALDH1A1MAPK8
SCHEMBL6463808 0.89 KDM4E (0.51) CNR2CNR1PDE10AALDH1A1MAPK8
Hydrochloric Acid SCHEMBL6456402 0.88 KDM4E (0.50) CNR2CNR1PDE10AALDH1A1MAPK8

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 MCHR1 2/4885CNR2 52/4885CNR1 77/4885

“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.