SCHEMBL946536

SCHEMBL946536

OC1CCC(Nc2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.51
MAPT P10636 1/20 0.50
RAPGEF4 Q8WZA2 1/20 0.47
PDK1 Q15118 1/20 0.47
CNR2 P34972 1/20 0.45
TRPV1 Q8NER1 2/20 0.45
EPHX2 P34913 6/20 0.44
RAF1 P04049 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
RECQL P46063 1/20 0.42
GRM4 Q14833 1/20 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
SCHEMBL947373 1.00 KDR (0.51) KDRMAPTRAPGEF4PDK1CNR2
SCHEMBL946535 1.00 KDR (0.51) KDRMAPTRAPGEF4PDK1CNR2
SCHEMBL12917305 0.89 CNR2 (0.41) KDRMAPTRAPGEF4CNR2EPHX2
SCHEMBL12917307 0.89 CNR2 (0.41) KDRMAPTRAPGEF4CNR2EPHX2
SCHEMBL15353731 0.89 CNR2 (0.41) KDRMAPTRAPGEF4CNR2EPHX2
SCHEMBL27817343 0.85 KDR (0.51) KDRMAPTRAPGEF4PDK1CNR2
SCHEMBL27817345 0.85 KDR (0.51) KDRMAPTRAPGEF4PDK1CNR2
SCHEMBL15177474 0.82 CNR2 (0.45) KDRCNR2
SCHEMBL2630679 0.82 CNR2 (0.45) CNR2
SCHEMBL12041868 0.82 KDR (0.48) KDRMAPTRAPGEF4PDK1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234973-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-07-02 EP disclosed
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 US disclosed
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
EP-2234973-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2010-10-06 EP disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 WO disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 WO 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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO KDR 4880/4885MAPT 1648/4885RAPGEF4 4704/4885

“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.