SCHEMBL6460084

SCHEMBL6460084

Cc1cnc(NCC2CCC(N)CC2)nc1N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.47
ADRA2A P08913 8/20 0.45
HTR2B P41595 6/20 0.45
HRH1 P35367 5/20 0.45
ADRA1A P35348 4/20 0.45
HTR1A P08908 1/20 0.45
MERTK Q12866 4/20 0.41
TYRO3 Q06418 3/20 0.41
FLT3 P36888 2/20 0.41
GAS6 Q14393 2/20 0.41
AXL P30530 2/20 0.41
NPY5R Q15761 2/20 0.41
HTR5A P47898 1/20 0.40
PAK4 O96013 1/20 0.39
PAK1 Q13153 1/20 0.39
RIPK2 O43353 1/20 0.38
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36

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
SCHEMBL6460081 1.00 MCHR1 (0.47) MCHR1ADRA2AHTR2BHRH1ADRA1A
Trifluoroacetic Acid SCHEMBL6459930 0.89 MCHR1 (0.52) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456780 0.80 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6455816 0.80 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6457080 0.78 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6457088 0.78 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458491 0.76 MCHR1 (0.50) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458480 0.76 MCHR1 (0.50) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6866358 0.76 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879442 0.76 MCHR1 (0.76) MCHR1ADRA2AHTR2BHRH1ADRA1A

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 2 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 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 117/4885HTR2B 22/4885

“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.