SCHEMBL19612619

SCHEMBL19612619

O=C1OCCN1C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 1.00
FAAH O00519 2/20 0.72
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
SLC6A7 Q99884 1/20 0.54
EGFR P00533 1/20 0.53
MAOB P27338 1/20 0.52

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
SCHEMBL19612536 0.86 NAAA (1.00) NAAAFAAHNR4A2MAOB
SCHEMBL4892163 0.85 NAAA (0.74) NAAAFAAHNR4A1NR4A2NR4A3
SCHEMBL19612588 0.84 FAAH (1.00) NAAAFAAH
SCHEMBL19612752 0.82 NAAA (1.00) NAAAFAAH
SCHEMBL8324037 0.80 NAAA (0.74) NAAAFAAH
SCHEMBL11175534 0.80 NAAA (0.66) NAAANR4A1NR4A2NR4A3SLC6A7
SCHEMBL1977856 0.77 SLC6A7 (0.70) NAAANR4A1NR4A2NR4A3SLC6A7
SCHEMBL19612755 0.77 NAAA (1.00) NAAAFAAHNR4A2
SCHEMBL11705033 0.76 NAAA (0.69) NAAAFAAH
SCHEMBL28522750 0.76 FAAH (0.64) NAAAFAAHMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074788-B Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2019-09-20 CN disclosed
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof XIAMEN UNIVERSITY (CN) 2019-01-08 US disclosed
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof XIAMEN UNIVERSITY (CN) 2019-01-08 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
CN-107074788-A Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2017-08-18 CN 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 (2 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-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof FAAH, NAAA, FAAH2 NAAA 2/4885FAAH 1/4885NR4A1 2870/4885
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof DHPS, CYP3A5, CYP3A4 NAAA 557/4885FAAH 934/4885NR4A1 1358/4885

“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.