SCHEMBL6458046

SCHEMBL6458046

O=C(N[C@H]1CC[C@@H](Nc2ccc3ccccc3n2)CC1)c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
HCRTR1 O43613 1/20 0.47
DPP4 P27487 4/20 0.46
DPP7 Q9UHL4 4/20 0.46
PTGES O14684 6/20 0.46
KCNH2 Q12809 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6458054 1.00 CNR2 (0.53) CNR2HCRTR1DPP4DPP7PTGES
SCHEMBL30681561 0.82 LMNA (0.62) HCRTR1DPP4DPP7PTGESKCNH2
SCHEMBL1819622 0.82 LMNA (0.62) HCRTR1DPP4DPP7PTGESKCNH2
Hydrochloric Acid SCHEMBL6456796 0.81 MCHR1 (0.51) CNR2NPC1RAB9AMAPTKMT2A
Hydrochloric Acid SCHEMBL6456792 0.81 MCHR1 (0.51) CNR2NPC1RAB9AMAPTKMT2A
SCHEMBL6467380 0.79 RAB9A (0.46) HCRTR1NPC1RAB9AKMT2AGAA
SCHEMBL6467378 0.79 RAB9A (0.46) HCRTR1NPC1RAB9AKMT2AGAA
Hydrochloric Acid SCHEMBL6455812 0.79 ADRA2A (0.60) CNR2MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL6455820 0.79 ADRA2A (0.60) CNR2MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL6459870 0.78 RAB9A (0.46) HCRTR1NPC1RAB9AKMT2AGAA

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 CNR2 52/4885HCRTR1 7/4885DPP4 358/4885

“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.