SCHEMBL2889710

SCHEMBL2889710

Cn1cc(C(=O)NC2CCCCCC2c2ncc(C(F)(F)F)cc2Cl)c(C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.49
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.39
GAA P10253 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL4019633 0.80 HCRTR1 (0.54) HCRTR1POLBGAA
SCHEMBL4020548 0.79 HCRTR1 (0.56) HCRTR1POLBGAA
SCHEMBL4024302 0.79 HCRTR1 (0.56) HCRTR1POLBGAA
SCHEMBL4020552 0.79 HCRTR1 (0.56) HCRTR1POLBGAA
SCHEMBL4025408 0.79 HCRTR1 (0.55) HCRTR1POLBGAA
SCHEMBL2885994 0.79 HCRTR1 (0.55) HCRTR1
SCHEMBL2882368 0.79 HCRTR1 (0.55) HCRTR1
SCHEMBL2882365 0.79 HCRTR1 (0.55) HCRTR1
SCHEMBL1138599 0.76 IRAK4 (0.40) LMNAIRAK4
SCHEMBL1138382 0.76 IRAK4 (0.40) LMNAIRAK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687067-B2 2-pyridinylcycloalkylcarboxamide derivatives useful as fungicides BAYER CROPSCIENCE S.A. (FR) 2010-03-30 US disclosed
US-20070232655-A1 2-Pyridinylcycloalkylcarboxamide Derivatives Useful as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
EP-1740544-B1 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2007-09-19 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-20070232655-A1 2-Pyridinylcycloalkylcarboxamide Derivatives Useful as Fungicides PFAS, CYP4F2, CYP1A2 HCRTR1 3672/4885LMNA 3028/4885POLB 4054/4885

“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.