SCHEMBL21768459

SCHEMBL21768459

CN(CCO)c1ncc2cc(Br)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
EGFR P00533 3/20 0.42
POLB P06746 1/20 0.36
BACE1 P56817 1/20 0.36
RPS6KB1 P23443 2/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
ACACB O00763 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
FGFR4 P22455 2/20 0.34
MAP4K4 O95819 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL26337518 0.84 OPRM1 (0.44) OPRM1OPRL1POLBBACE1RPS6KB1
SCHEMBL5491292 0.81 EGFR (0.43) EGFRBACE1HTTFGFR4
SCHEMBL19105600 0.80 OPRM1 (0.42) OPRM1OPRL1POLBRPS6KB1ACACB
SCHEMBL27101554 0.76 POLB (0.46) OPRM1OPRL1EGFRPOLBMAPT
SCHEMBL14568612 0.74 LCK (0.48) EGFRLMNA
SCHEMBL3227519 0.73 BACE1 (0.38) BACE1LMNAACACBHTTSMN1; SMN2
SCHEMBL22101294 0.70 ACACB (0.42) BACE1LMNAMAPTACACBPIK3CD
SCHEMBL20445816 0.70 RPS6KB1 (0.56) RPS6KB1LMNAPIK3CDPIK3R1HTT
SCHEMBL20445817 0.70 RPS6KB1 (0.56) RPS6KB1LMNAPIK3CDPIK3R1HTT
SCHEMBL15152343 0.69 POLB (0.37) EGFRPOLBEHMT2EHMT1

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 3 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
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 OPRM1 5/4885OPRL1 3/4885EGFR 4022/4885

“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.