SCHEMBL6460333

SCHEMBL6460333

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)NC(c3ccccc3)c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.48
MCHR1 Q99705 9/20 0.43
ADRA2A P08913 8/20 0.41
NPY5R Q15761 7/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACB O00763 2/20 0.37
ACACA Q13085 1/20 0.37
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
KMT2A Q03164 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL6460344 1.00 PTGIR (0.48) PTGIRMCHR1ADRA2ANPY5RKDM4E
SCHEMBL6456053 0.88 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6456045 0.88 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6463049 0.87 MCHR1 (0.45) PTGIRMCHR1ADRA2ANPY5RKDM4E
SCHEMBL6463042 0.87 MCHR1 (0.45) PTGIRMCHR1ADRA2ANPY5RKDM4E
SCHEMBL6878610 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6878604 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874945 0.85 MCHR1 (0.43) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874939 0.85 MCHR1 (0.43) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6878136 0.83 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4ELMNA

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 PTGIR 1723/4885MCHR1 2/4885ADRA2A 117/4885

“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.