SCHEMBL6456795

SCHEMBL6456795

Cc1cc(NC2CCC(NC(=O)c3cccc(Cl)c3)CC2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.66
ADRA2A P08913 8/20 0.66
GRM5 P41594 5/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CRHR1 P34998 1/20 0.52
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
HTR1A P08908 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
NPY5R Q15761 1/20 0.48

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
SCHEMBL6456788 1.00 MCHR1 (0.66) MCHR1ADRA2AGRM5KDM4ELMNA
Hydrochloric Acid SCHEMBL6457144 0.99 MCHR1 (0.65) MCHR1ADRA2AGRM5KDM4ELMNA
Hydrochloric Acid SCHEMBL6457135 0.99 MCHR1 (0.65) MCHR1ADRA2AGRM5KDM4ELMNA
SCHEMBL6455902 0.91 LMNA (0.60) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6455892 0.91 LMNA (0.60) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6460950 0.90 LMNA (0.59) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6461776 0.90 MCHR1 (0.66) MCHR1ADRA2AGRM5KDM4ELMNA
SCHEMBL6461781 0.90 MCHR1 (0.66) MCHR1ADRA2AGRM5KDM4ELMNA
Hydrochloric Acid SCHEMBL6460942 0.90 LMNA (0.59) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6455751 0.89 MCHR1 (0.65) MCHR1ADRA2AGRM5KDM4ELMNA

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 2/4885ADRA2A 117/4885GRM5 98/4885

“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.