SCHEMBL6458092

SCHEMBL6458092

CN(C)c1ccnc(NC2CCC(CNC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.56
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ADRA2A P08913 3/20 0.44
ADRA1A P35348 3/20 0.44
HTR2B P41595 3/20 0.44
HRH1 P35367 2/20 0.44
EPHX1 P07099 2/20 0.43
EPHX2 P34913 2/20 0.43
GRM4 Q14833 1/20 0.41
MAPT P10636 1/20 0.41
HTR1A P08908 1/20 0.40
NPY5R Q15761 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 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
SCHEMBL6458079 1.00 MCHR1 (0.56) MCHR1POLBNPC1RAB9AADRA2A
SCHEMBL6455461 0.90 MCHR1 (0.53) MCHR1POLBNPC1RAB9AADRA2A
SCHEMBL6455469 0.90 MCHR1 (0.53) MCHR1POLBNPC1RAB9AADRA2A
SCHEMBL6463324 0.89 MCHR1 (0.56) MCHR1POLBNPC1RAB9AADRA2A
SCHEMBL6463329 0.89 MCHR1 (0.56) MCHR1POLBNPC1RAB9AADRA2A
SCHEMBL6461646 0.88 MCHR1 (0.50) MCHR1POLBNPC1RAB9AADRA2A
SCHEMBL6461638 0.88 MCHR1 (0.50) MCHR1POLBNPC1RAB9AADRA2A
SCHEMBL6456635 0.87 MCHR1 (0.56) MCHR1POLBNPC1RAB9AADRA2A
SCHEMBL6456627 0.87 MCHR1 (0.56) MCHR1POLBNPC1RAB9AADRA2A
SCHEMBL6458971 0.87 MCHR1 (0.74) MCHR1ADRA2AADRA1AHTR2BHRH1

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 2/4885POLB 3369/4885NPC1 778/4885

“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.