SCHEMBL2617848

SCHEMBL2617848

COc1ccc(N2CCN(C(=O)CO[C@H]3CC[C@H](Oc4ccc(C#N)c(C(F)(F)F)c4)CC3)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.42
▸ RET P07949 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ PIK3CA P42336 4/20 0.40
▸ PIK3CD O00329 3/20 0.40
▸ ALK Q9UM73 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2121219 1.00 AR (0.44) ARMAPTTBK1RETTSHR
SCHEMBL2118296 0.91 AR (0.41) ARRETPIK3CAPIK3CD
SCHEMBL2617861 0.91 AR (0.41) ARRETPIK3CAPIK3CD
SCHEMBL2617781 0.91 AR (0.51) ARMAPTTBK1
SCHEMBL2121529 0.91 AR (0.51) ARMAPTTBK1
SCHEMBL15177486 0.91 AR (0.51) ARMAPTTBK1
SCHEMBL2617842 0.90 AR (0.43) ARMAPTLIPEPIK3CAPIK3CD
SCHEMBL2118248 0.90 AR (0.43) ARMAPTLIPEPIK3CAPIK3CD
SCHEMBL2118997 0.88 AR (0.48) ARALK
SCHEMBL2617844 0.88 AR (0.48) ARALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 — — US disclosed
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 — — US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 — — US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 — — US 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 AR 4346/4885MAPT 2856/4885TBK1 3079/4885

“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.

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