SCHEMBL21768428

SCHEMBL21768428

O=C1CN(c2ncc(Br)c(C(F)(F)F)n2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.48
OPRL1 P41146 3/20 0.48
AOC3 Q16853 1/20 0.42
ADRB1 P08588 1/20 0.37
NR1H3 Q13133 1/20 0.37
NR1H2 P55055 1/20 0.37
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
SCN9A Q15858 1/20 0.35
HPGDS O60760 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PIK3CA P42336 1/20 0.34
KCNH2 Q12809 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
PDE5A O76074 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK4 P11802 1/20 0.33

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
SCHEMBL15415745 0.89 ADRB1 (0.39) OPRM1OPRL1AOC3ADRB1NR1H3
SCHEMBL19145317 0.85 OPRM1 (0.50) OPRM1OPRL1AOC3ADRB1PRKCH
SCHEMBL19105592 0.82 OPRM1 (0.49) OPRM1OPRL1AOC3ADRB1NR1H3
SCHEMBL21780676 0.82 OPRM1 (0.49) OPRM1OPRL1AOC3ADRB1NR1H3
SCHEMBL15509230 0.80 OPRM1 (0.46) OPRM1OPRL1AOC3PRKCHPRKCE
SCHEMBL25075257 0.78 AOC3 (0.44) OPRM1OPRL1AOC3ADRB1PRKCH
SCHEMBL26342031 0.78 OPRM1 (0.44) OPRM1OPRL1AOC3ADRB1PRKCH
SCHEMBL16053043 0.76 AOC3 (0.44) OPRM1OPRL1AOC3PRKCHPRKCE
SCHEMBL26352347 0.75 AOC3 (0.43) OPRM1OPRL1AOC3PRKCHPRKCE
SCHEMBL21768445 0.73 OPRL1 (0.43) OPRL1NR1H3NR1H2KDM4EABL1

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 3/4885AOC3 1035/4885

“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.