SCHEMBL10087795

SCHEMBL10087795

CCCCCCCCCCCCOC(=O)OCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
EPHX1 P07099 1/20 0.48
TSHR P16473 3/20 0.47
HCAR2 Q8TDS4 1/20 0.44
MAPT P10636 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 5/20 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
SCHEMBL10087799 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2MAPT
SCHEMBL10087794 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2MAPT
SCHEMBL18856301 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2MAPT
SCHEMBL10087796 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2MAPT
SCHEMBL10087793 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2MAPT
SCHEMBL21451307 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2MAPT
SCHEMBL6897799 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2MAPT
SCHEMBL10087800 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2MAPT
SCHEMBL10087797 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2MAPT
SCHEMBL10087798 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544154-B2 Opioid receptor antagonist prodrugs NIRSUM LABORATORIES, INC. (US) 2020-01-28 US disclosed
US-20190307743-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS NIRSUM LABORATORIES, INC. 2019-10-10 US disclosed
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 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 (3 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-20190307743-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS OPRM1, OPRK1, OPRL1 NAAA 483/4885EPHX1 1341/4885TSHR 473/4885
US-10544154-B2 Opioid receptor antagonist prodrugs OPRM1, OPRK1, OPRL1 NAAA 483/4885EPHX1 1341/4885TSHR 473/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 NAAA 1081/4885EPHX1 135/4885TSHR 3744/4885

“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.