SCHEMBL3850133

SCHEMBL3850133

Cc1ccc(C(C(N)=O)C2CCC(CN([C@@H](C)c3ccccc3)S(=O)(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 5/20 0.42
DAGLA Q9Y4D2 1/20 0.39
CCR5 P51681 3/20 0.38
HTR1E P28566 1/20 0.38
S1PR3 Q99500 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RORC P51449 2/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
POLB P06746 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL3856266 1.00 TAS2R14 (0.42) TAS2R14DAGLACCR5HTR1ES1PR3
SCHEMBL3851445 0.86 TAS2R14 (0.42) TAS2R14DAGLACCR5LMNAGAA
SCHEMBL3851544 0.83 TAS2R14 (0.50) TAS2R14CCR5HTR1ES1PR3LMNA
SCHEMBL3855990 0.80 TAS2R14 (0.52) TAS2R14LMNASMN1; SMN2POLBCNR2
SCHEMBL3859964 0.79 TAS2R14 (0.62) TAS2R14LMNASMN1; SMN2POLBCNR2
SCHEMBL3860197 0.79 TAS2R14 (0.65) TAS2R14CNR2
SCHEMBL3854330 0.79 TAS2R14 (0.50) TAS2R14LMNASMN1; SMN2CNR2
SCHEMBL3853184 0.79 TAS2R14 (0.50) TAS2R14LMNAPOLBCNR2
SCHEMBL3851442 0.78 TAS2R14 (0.39) TAS2R14DAGLACCR5LMNAGAA
SCHEMBL3852916 0.78 TAS2R14 (0.54) TAS2R14LMNACNR2

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-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
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

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 4736/4885DAGLA 814/4885CCR5 886/4885

“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.