SCHEMBL6455809

SCHEMBL6455809

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Cc3ccc(Oc4ccccc4)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.45
ADRA2A P08913 9/20 0.45
CCR8 P51685 1/20 0.42
EPHX2 P34913 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
APP P05067 1/20 0.40
BTK Q06187 1/20 0.40

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
SCHEMBL6455813 1.00 MCHR1 (0.45) MCHR1ADRA2ACCR8EPHX2MEN1
SCHEMBL6459393 0.93 CCR8 (0.48) MCHR1ADRA2ACCR8HTR1AADRA1A
SCHEMBL6459397 0.93 CCR8 (0.48) MCHR1ADRA2ACCR8HTR1AADRA1A
SCHEMBL6877138 0.93 EPHX2 (0.48) MCHR1ADRA2AEPHX2MEN1ALDH1A1
SCHEMBL6877146 0.93 EPHX2 (0.48) MCHR1ADRA2AEPHX2MEN1ALDH1A1
SCHEMBL6457880 0.90 EPHX2 (0.55) MCHR1ADRA2AEPHX2ALDH1A1ADRA1A
SCHEMBL6457869 0.90 EPHX2 (0.55) MCHR1ADRA2AEPHX2ALDH1A1ADRA1A
SCHEMBL6464386 0.87 SMN1; SMN2 (0.47) MCHR1ADRA2AMEN1ALDH1A1KMT2A
SCHEMBL6464369 0.87 SMN1; SMN2 (0.47) MCHR1ADRA2AMEN1ALDH1A1KMT2A
SCHEMBL6874485 0.86 EPHX1 (0.54) MCHR1ADRA2AEPHX2ALDH1A1HTR1A

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 4 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
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 117/4885CCR8 4158/4885

“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.