SCHEMBL438236

SCHEMBL438236

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
LDHB P07195 1/20 0.53
CACNA1G O43497 2/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
PPARD Q03181 4/20 0.49
PPARA Q07869 3/20 0.49
CA2 P00918 5/20 0.48
CA1 P00915 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 3/20 0.48
CA12 O43570 1/20 0.48
KCNH2 Q12809 1/20 0.47
HTR1A P08908 1/20 0.47
DEGS1 O15121 1/20 0.47
AKR1C3 P42330 1/20 0.46
HTR7 P34969 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 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
SCHEMBL381137 0.89 MAPT (0.55) LDHALDHBDRD2DRD4CA2
SCHEMBL9984708 0.86 PPARD (0.52) CACNA1GDRD2DRD4PPARDPPARA
SCHEMBL455662 0.86 PPARD (0.52) CACNA1GDRD2DRD4PPARDPPARA
SCHEMBL454734 0.85 PPARD (0.51) CACNA1GDRD2DRD4PPARDPPARA
Lithium Ion SCHEMBL9983653 0.84 CA2 (0.49) CACNA1GDRD2DRD4PPARDPPARA
SCHEMBL381609 0.83 SMN1; SMN2 (0.59) DRD2DRD4KCNH2HTR7
SCHEMBL381420 0.80 CACNA1G (0.54) CACNA1GDRD2DRD4PPARDPPARA
SCHEMBL9984922 0.78 CACNA1G (0.56) CACNA1GDRD2DRD4PPARDPPARA
SCHEMBL381678 0.78 CACNA1G (0.56) CACNA1GDRD2DRD4PPARDPPARA
SCHEMBL9984170 0.76 CACNA1G (0.49) CACNA1GDRD2DRD4PPARDPPARA

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 LDHA 2897/4885LDHB 3436/4885CACNA1G 973/4885

“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.