SCHEMBL6463322

SCHEMBL6463322

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)NCc3ccccc3Cl)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.45
ADRA2A P08913 7/20 0.45
MAPT P10636 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK8 P45983 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL6463327 1.00 MCHR1 (0.45) MCHR1ADRA2AMAPTRAB9ANPC1
SCHEMBL6877078 0.92 MCHR1 (0.45) MCHR1ADRA2AMAPTTP53LMNA
SCHEMBL6877072 0.92 MCHR1 (0.45) MCHR1ADRA2AMAPTTP53LMNA
SCHEMBL6879928 0.90 MCHR1 (0.44) MCHR1ADRA2AMAPTRAB9ANPC1
SCHEMBL6879929 0.90 MCHR1 (0.44) MCHR1ADRA2AMAPTRAB9ANPC1
SCHEMBL6878983 0.90 MCHR1 (0.46) MCHR1ADRA2AMAPTTP53LMNA
SCHEMBL6878977 0.90 MCHR1 (0.46) MCHR1ADRA2AMAPTTP53LMNA
SCHEMBL6879024 0.89 MCHR1 (0.45) MCHR1ADRA2AMAPTRAB9ALMNA
SCHEMBL6866532 0.89 MCHR1 (0.47) MCHR1ADRA2ARAB9ATP53LMNA
SCHEMBL6879021 0.89 MCHR1 (0.45) MCHR1ADRA2AMAPTRAB9ALMNA

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 MCHR1 2/4885ADRA2A 117/4885MAPT 517/4885

“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.