SCHEMBL16337701

SCHEMBL16337701

O=C(Cc1ccccc1)N1CCOC1=O

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 12/20 0.83
FAAH O00519 8/20 0.83
ALDH1A1 P00352 1/20 0.53
HSD11B1 P28845 1/20 0.50

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
SCHEMBL19612649 0.91 NAAA (1.00) NAAAFAAH
SCHEMBL19612527 0.87 NAAA (1.00) NAAAFAAH
SCHEMBL19612567 0.87 FAAH (1.00) NAAAFAAH
SCHEMBL19612588 0.87 FAAH (1.00) NAAAFAAH
SCHEMBL28703216 0.84 NAAA (0.64) NAAAFAAH
SCHEMBL16335626 0.84 FAAH (0.61) NAAAFAAHALDH1A1HSD11B1
SCHEMBL5175174 0.84 FAAH (0.61) NAAAFAAHALDH1A1HSD11B1
SCHEMBL7269558 0.84 NAAA (0.81) NAAAFAAH
SCHEMBL19612661 0.84 FAAH (1.00) NAAAFAAHALDH1A1
SCHEMBL19612755 0.82 NAAA (1.00) NAAAFAAHALDH1A1

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
EP-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 EP disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
CN-107074788-B Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2019-09-20 CN disclosed
US-10131679-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2018-11-20 US disclosed
US-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 2017-11-02 US disclosed
EP-3214086-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND Ube Industries, Ltd. (JP) 2017-09-06 EP disclosed
US-9598383-B2 Reactive oxygen species-based prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-21 US disclosed
CN-104356082-B One class substituted heterocycle derivant and preparation method thereof 厦门大学 2016-07-13 CN disclosed
CN-104356082-A Substituted heterocyclic derivative and preparation method thereof UNIV XIAMEN 2015-02-18 CN disclosed
US-20150005352-A1 REACTIVE OXYGEN SPECIES-BASED PRODRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-01 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 (4 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-20150005352-A1 REACTIVE OXYGEN SPECIES-BASED PRODRUGS ROS1, NOX4, NOX1 NAAA 2323/4885FAAH 4085/4885ALDH1A1 173/4885
US-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND QDPR, CYP2D6, DCLK3 NAAA 3083/4885FAAH 3415/4885ALDH1A1 246/4885
US-10131679-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, DCLK3 NAAA 3083/4885FAAH 3415/4885ALDH1A1 246/4885
US-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 NAAA 2866/4885FAAH 3242/4885ALDH1A1 190/4885

“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.