SCHEMBL455662

SCHEMBL455662

CC(CN1CCN(c2ccc(C(F)(F)F)cc2)CC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.52
PPARA Q07869 3/20 0.52
CA2 P00918 5/20 0.51
CA9 Q16790 3/20 0.51
CA12 O43570 1/20 0.51
CACNA1G O43497 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
AKR1C3 P42330 1/20 0.49
CA1 P00915 4/20 0.48
CA7 P43166 4/20 0.48
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47
HTR1A P08908 2/20 0.47
ALDH1A1 P00352 1/20 0.47
DEGS1 O15121 1/20 0.46
NOTUM Q6P988 1/20 0.46
MC4R P32245 1/20 0.45

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
SCHEMBL9984708 1.00 PPARD (0.52) PPARDPPARACA2CA9CA12
SCHEMBL454734 0.99 PPARD (0.51) PPARDPPARACA2CA9CA12
SCHEMBL12042014 0.88 MAPT (0.52) PPARDPPARACA2CA9CA12
Lithium Ion SCHEMBL9983653 0.87 CA2 (0.49) PPARDPPARACA2CA9CA12
SCHEMBL461854 0.86 MAPT (0.51) PPARDPPARACA2CA9CA12
SCHEMBL438236 0.86 LDHA (0.53) PPARDPPARACA2CA9CA12
SCHEMBL17432438 0.83 PPARD (0.49) PPARDPPARACACNA1GALDH1A1
SCHEMBL381420 0.83 CACNA1G (0.54) PPARDPPARACA2CA9CA12
SCHEMBL12041786 0.82 SMN1; SMN2 (0.59) DRD2DRD4HTR1AALDH1A1
SCHEMBL381655 0.81 SMN1; SMN2 (0.58) DRD2DRD4HTR1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO PPARD 3292/4885PPARA 3571/4885CA2 57/4885

“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.