SCHEMBL6457744

SCHEMBL6457744

CN(C)c1cc(NC2CCC(CNC(=O)c3ccc(Br)cc3)CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.51
ADRA2A P08913 9/20 0.51
NPY5R Q15761 6/20 0.51
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ADRA1A P35348 2/20 0.43
HRH1 P35367 2/20 0.43
HTR2B P41595 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL6457739 1.00 MCHR1 (0.51) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6872721 0.92 HDAC3 (0.48) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6872722 0.92 HDAC3 (0.48) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6463136 0.91 MCHR1 (0.56) MCHR1ADRA2ANPY5RMEN1HPGD
SCHEMBL6463133 0.91 MCHR1 (0.56) MCHR1ADRA2ANPY5RMEN1HPGD
SCHEMBL6459232 0.91 MCHR1 (0.53) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6459241 0.91 MCHR1 (0.53) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6876100 0.91 NPY5R (0.47) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6464824 0.91 NPY5R (0.58) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6464829 0.91 NPY5R (0.58) MCHR1ADRA2ANPY5RADRA1AHRH1

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 5 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
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 117/4885NPY5R 8/4885

“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.