SCHEMBL3860146

SCHEMBL3860146

O=CN(Cc1ccc(C(F)(F)F)cc1)C1CCC(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 11/20 0.61
KCNA5 P22460 2/20 0.50
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
PTPN1 P18031 1/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
PTGES O14684 1/20 0.43

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
SCHEMBL3854506 0.95 TAS2R14 (0.53) TAS2R14KCNA5HTR2AHTR2CHTR7
SCHEMBL3860195 0.89 TAS2R14 (0.64) TAS2R14KCNA5
SCHEMBL3852913 0.83 TAS2R14 (0.56) TAS2R14KCNA5PTGES
SCHEMBL3857620 0.82 TAS2R14 (0.53) TAS2R14
SCHEMBL3851737 0.81 TAS2R14 (0.55) TAS2R14KCNA5
SCHEMBL3852794 0.81 TAS2R14 (0.59) TAS2R14
SCHEMBL3854318 0.81 TAS2R14 (0.54) TAS2R14KCNA5
SCHEMBL3849136 0.80 TAS2R14 (0.53) TAS2R14KCNA5
SCHEMBL3857532 0.80 TAS2R14 (0.53) TAS2R14KCNA5PTGES
SCHEMBL3853109 0.80 TAS2R14 (0.55) TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579504-B2 ABCA1 elevating compounds GILEAD SCIENCES, INC. (US) 2009-08-25 US claimed
US-20070203245-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-30 US claimed
WO-2007067817-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-06-14 WO claimed
US-7579504-B2 ABCA1 elevating compounds GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-20070203245-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-30 US disclosed
WO-2007067817-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-06-14 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-20070203245-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TAS2R14 4736/4885KCNA5 2414/4885HTR2A 2395/4885

“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.