SCHEMBL6462855

SCHEMBL6462855

COc1cccc(N(C(=O)C(F)(F)F)C2CCC(NCc3ccc4ccccc4n3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
OPRM1 P35372 1/20 0.40
CNR2 P34972 1/20 0.40
HPGDS O60760 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
ALOX5AP P20292 1/20 0.37
CXCR6 O00574 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ADORA2A P29274 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6455397 0.85 CNR2 (0.41) MCHR1OPRM1CNR2HPGDSMTNR1A
Trifluoroacetic Acid SCHEMBL6462851 0.79 MCHR1 (0.56) MCHR1CNR2HPGDSCYSLTR1CXCR6
Trifluoroacetic Acid SCHEMBL6830960 0.79 MCHR1 (0.56) MCHR1CNR2HPGDSCYSLTR1CXCR6
SCHEMBL6463555 0.76 MEN1 (0.42) MCHR1OPRM1MAPT
SCHEMBL6467015 0.72 TACR1 (0.39) MCHR1
SCHEMBL19953764 0.70 KDM1A (0.60) MCHR1CYSLTR1HDAC8
Hydrochloric Acid SCHEMBL6927696 0.65 KDM1A (0.45) MCHR1OPRM1CYSLTR1HDAC8
SCHEMBL6457127 0.65 CYP1A2 (0.40) MCHR1CNR2MTNR1AMTNR1BMAPT
SCHEMBL30022074 0.64 KDM1A (0.56) MCHR1HDAC8
SCHEMBL19656391 0.64 KDM1A (0.56) MCHR1HDAC8

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 2 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 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 2/4885OPRM1 39/4885CNR2 52/4885

“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.