SCHEMBL6460503

SCHEMBL6460503

COc1cccc(C(=O)NC2CCC(Nc3ccc4ccccc4n3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.57
CNR2 P34972 1/20 0.56
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
DRD4 P21917 1/20 0.52
ADRA2A P08913 1/20 0.52
GRM5 P41594 1/20 0.50
CCR3 P51677 1/20 0.49
SMYD3 Q9H7B4 1/20 0.49
HPGDS O60760 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL6460496 1.00 MCHR1 (0.57) MCHR1CNR2NPC1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6464672 0.99 MCHR1 (0.56) MCHR1CNR2NPC1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6464680 0.99 MCHR1 (0.56) MCHR1CNR2NPC1ALDH1A1TSHR
SCHEMBL6457131 0.96 MCHR1 (0.54) MCHR1CNR2NPC1ALDH1A1TSHR
SCHEMBL6457122 0.96 MCHR1 (0.54) MCHR1CNR2NPC1ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL6455390 0.93 MCHR1 (0.51) MCHR1CNR2NPC1ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL6831214 0.93 MCHR1 (0.51) MCHR1CNR2NPC1ALDH1A1TSHR
SCHEMBL6455939 0.92 MCHR1 (0.64) MCHR1ADRA2AHPGDSMEN1KMT2A
SCHEMBL6455924 0.92 MCHR1 (0.64) MCHR1ADRA2AHPGDSMEN1KMT2A
Hydrochloric Acid SCHEMBL6458183 0.91 MCHR1 (0.63) MCHR1ADRA2AHPGDSMEN1KMT2A

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 2/4885CNR2 52/4885NPC1 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.