SCHEMBL381997

SCHEMBL381997

CC(C)(C)OC(=O)COC1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
NOTUM Q6P988 1/20 0.47
GPR119 Q8TDV5 8/20 0.45
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
AKR1C3 P42330 1/20 0.41
CYP3A4 P08684 1/20 0.41
DEGS1 O15121 1/20 0.41
SLC6A9 P48067 1/20 0.41
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40

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
SCHEMBL15656155 0.85 GPR119 (0.45) GPR119DRD2DRD4AKR1C3
SCHEMBL14242631 0.85 GPR119 (0.45) GPR119
SCHEMBL382206 0.84 NOTUM (0.56) CYP11B1CYP11B2NOTUMCA12CA2
SCHEMBL30860072 0.81 GPR119 (0.46) CYP11B1CYP11B2GPR119PPARDPPARA
SCHEMBL17274939 0.80 AR (0.49)
SCHEMBL12809981 0.78 NOTUM (0.55) NOTUMCA12CA2CA9
SCHEMBL22620274 0.78 GPR119 (0.35) CYP11B1CYP11B2NOTUMGPR119
SCHEMBL18591887 0.77 ACACB (0.44)
SCHEMBL1410148 0.77 NOTUM (0.60) NOTUM
SCHEMBL22954493 0.77 LGMN (0.43) GPR119

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 10 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

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 CYP11B1 1000/4885CYP11B2 847/4885NOTUM 157/4885

“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.