SCHEMBL22519009

SCHEMBL22519009

Fc1cc(N2CCC2)ncc1Br

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.39
▸ PKM P14618 2/20 0.37
▸ IP6K1 Q92551 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ UBE2T Q9NPD8 1/20 0.33
▸ HTR3A P46098 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
SCHEMBL30593372 0.84 HTR3A (0.51) HTR3A
SCHEMBL31195982 0.84 CNR2 (0.46) CNR2KCNQ3KCNQ2KDM4ERAB9A
SCHEMBL25191524 0.84 HTR3A (0.51) HTR3A
SCHEMBL20640242 0.78 CNR2 (0.41) ARIP6K1CNR2KDM4EALDH1A1
SCHEMBL19145498 0.78 CNR2 (0.41) ARPKMIP6K1CNR2KCNQ3
SCHEMBL19105608 0.75 AR (0.37) ARPKMIP6K1CNR2KCNQ3
SCHEMBL1928954 0.73 AR (0.41) ARIP6K1CNR2KDM4ERAB9A
SCHEMBL22655487 0.72 NOTUM (0.49) KDM4E
SCHEMBL22491884 0.72 NOTUM (0.49) KDM4E
SCHEMBL17912895 0.71 TDO2 (0.46) KDM4EALDH1A1MAPTTSHR

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 2 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

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 AR 274/4885PKM 2951/4885IP6K1 3119/4885

“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.

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