SCHEMBL21780802

SCHEMBL21780802

Cc1cccc2nc(O)oc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
ELANE P08246 8/20 0.41
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CETP P11597 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL5542790 0.79 ELANE (0.56) FAAHELANEALDH1A1MAOAMAOB
SCHEMBL28441007 0.77 L3MBTL1 (0.46) FAAHELANEMCL1ALDH1A1CETP
SCHEMBL29923288 0.77 L3MBTL1 (0.46) FAAHELANEMCL1ALDH1A1CETP
SCHEMBL288107 0.76 NUDT1 (0.56) FAAHELANEALDH1A1MAOAMAOB
SCHEMBL12355752 0.76 ELANE (0.41) FAAHELANEMCL1ALDH1A1CETP
SCHEMBL6489417 0.76 ELANE (0.41) FAAHELANEMCL1ALDH1A1CETP
SCHEMBL5542784 0.76 ELANE (0.41) FAAHELANEMCL1ALDH1A1CETP
SCHEMBL19105564 0.76 GABRA1 (0.45) FAAHELANE
SCHEMBL14266178 0.75 ESR2 (0.52) CETP
SCHEMBL17465375 0.73 MTNR1A (0.47) FAAHELANEMAOAMAOB

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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 FAAH 662/4885ELANE 992/4885MCL1 3174/4885

“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.