SCHEMBL6460110

SCHEMBL6460110

Cc1cc(NC2CCC(N(C(=O)C(F)(F)F)c3ccc(F)c(F)c3F)CC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MCHR1 Q99705 8/20 0.42
ADRA2A P08913 5/20 0.42
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
NPY5R Q15761 1/20 0.38
TLR7 Q9NYK1 1/20 0.36
PHGDH O43175 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
USP2 O75604 1/20 0.34
GPR6 P46095 2/20 0.34

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
SCHEMBL6462481 0.87 KDM4E (0.50) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6460870 0.85 KDM4E (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6464250 0.83 LMNA (0.50) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6457061 0.80 KDM4E (0.48) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
Trifluoroacetic Acid SCHEMBL6460104 0.79 MCHR1 (0.60) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
Trifluoroacetic Acid SCHEMBL6876795 0.78 KDM4E (0.50) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6459355 0.77 MCHR1 (0.46) KDM4ELMNASMN1; SMN2MCHR1
Trifluoroacetic Acid SCHEMBL6462476 0.74 MCHR1 (0.61) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6456169 0.74 KDM4E (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
Trifluoroacetic Acid SCHEMBL6457352 0.73 KDM4E (0.51) KDM4ELMNASMN1; SMN2MCHR1ADRA2A

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 KDM4E 1190/4885LMNA 3391/4885SMN1; SMN2 1477/4885

“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.