SCHEMBL945523

SCHEMBL945523

O[C@H]1CC[C@H](Nc2ccc(OC(F)(F)F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.44
CNR2 P34972 7/20 0.43
EPHX2 P34913 2/20 0.43
FLT3 P36888 3/20 0.39
KIT P10721 2/20 0.39
ULK1 O75385 1/20 0.39
ULK2 Q8IYT8 1/20 0.39
AR P10275 4/20 0.39
CNR1 P21554 4/20 0.39
PIM2 Q9P1W9 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL945213 1.00 PIM1 (0.44) PIM1CNR2EPHX2FLT3KIT
SCHEMBL945211 1.00 PIM1 (0.44) PIM1CNR2EPHX2FLT3KIT
SCHEMBL12917304 0.89 PIM1 (0.43) PIM1CNR2EPHX2FLT3ULK1
SCHEMBL12917306 0.89 PIM1 (0.43) PIM1CNR2EPHX2FLT3ULK1
SCHEMBL15353733 0.89 PIM1 (0.43) PIM1CNR2EPHX2FLT3ULK1
SCHEMBL12916454 0.88 ULK1 (0.48) PIM1CNR2FLT3KITULK1
SCHEMBL27796249 0.86 CNR2 (0.46) CNR2EPHX2ULK1ULK2AR
SCHEMBL27796248 0.86 CNR2 (0.46) CNR2EPHX2ULK1ULK2AR
SCHEMBL12916452 0.85 PIM1 (0.46) PIM1EPHX2FLT3PIM2KCNH2
SCHEMBL15850035 0.83 CNR2 (0.49) PIM1CNR2EPHX2ULK1ULK2

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 7 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
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
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

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 PIM1 3270/4885CNR2 1257/4885EPHX2 239/4885

“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.