SCHEMBL4020552

SCHEMBL4020552

O=C(NC1CCCCC1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.56
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PTGES O14684 2/20 0.42

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
SCHEMBL4024302 1.00 HCRTR1 (0.56) HCRTR1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4020548 1.00 HCRTR1 (0.56) HCRTR1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL1660057 0.91 HCRTR1 (0.54) HCRTR1TAS1R3TAS1R1TAS1R2GAA
SCHEMBL4019633 0.88 HCRTR1 (0.54) HCRTR1KDM4EPOLBGAA
SCHEMBL4025408 0.87 HCRTR1 (0.55) HCRTR1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2882365 0.87 HCRTR1 (0.55) HCRTR1
SCHEMBL2885994 0.87 HCRTR1 (0.55) HCRTR1
SCHEMBL2882368 0.87 HCRTR1 (0.55) HCRTR1
SCHEMBL16512784 0.86 HCRTR1 (0.50) HCRTR1TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL17863662 0.86 HCRTR1 (0.50) HCRTR1TAS1R3TAS1R1TAS1R2KDM4E

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-7524968-B2 2-pyridinylcycloalkylbenzamide derivatives and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2009-04-28 US disclosed
US-20070203204-A1 2-Pyridinylcycloalkylbenzamide Derivatives And Their Use As Fungicides BAYER CROPSCIENCE S.A. (FR) 2007-08-30 US disclosed
CN-1946694-A 2-Pyridylcycloalkylbenzamide derivatives and their use as fungicides BAYER CROPSCIENCE SA (FR) 2007-04-11 CN disclosed
EP-1740542-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2007-01-10 EP disclosed
WO-2005103004-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-11-03 WO disclosed
EP-1591442-A1 2-Pyridinycycloalkylbenzamide derivatives and their use as fungicides Bayer CropScience S.A. (FR) 2005-11-02 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-20070203204-A1 2-Pyridinylcycloalkylbenzamide Derivatives And Their Use As Fungicides CYP1A2, CYP4B1, CYP1B1 HCRTR1 4059/4885TAS1R3 1851/4885TAS1R1 1985/4885

“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.