SCHEMBL4259798

SCHEMBL4259798

N[C@H]1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 15/20 0.62
DPP4 P27487 3/20 0.59
KCNH2 Q12809 3/20 0.59
DPP7 Q9UHL4 3/20 0.59
MCHR1 Q99705 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55

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
SCHEMBL3456482 1.00 SMYD3 (0.62) SMYD3DPP4KCNH2DPP7MCHR1
SCHEMBL531986 0.92 MCHR1 (0.64) DPP4KCNH2DPP7MCHR1TAS1R3
SCHEMBL4263529 0.87 SMYD3 (0.58) SMYD3TAS1R3TAS1R1TAS1R2
SCHEMBL4263533 0.87 SMYD3 (0.58) SMYD3TAS1R3TAS1R1TAS1R2
SCHEMBL24359908 0.85 MCHR1 (0.60) DPP4KCNH2DPP7MCHR1TAS1R3
SCHEMBL4260734 0.84 SMYD3 (0.55) SMYD3MCHR1
SCHEMBL4260732 0.84 SMYD3 (0.55) SMYD3MCHR1
SCHEMBL4263404 0.84 MAPK14 (0.56) SMYD3DPP4KCNH2DPP7MCHR1
SCHEMBL4263410 0.84 MAPK14 (0.56) SMYD3DPP4KCNH2DPP7MCHR1
SCHEMBL24359915 0.83 NPC1 (0.71) SMYD3MCHR1

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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO disclosed
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 (2 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 SMYD3 929/4885DPP4 358/4885KCNH2 1870/4885
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 SMYD3 861/4885DPP4 404/4885KCNH2 3317/4885

“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.