SCHEMBL23514016

SCHEMBL23514016

C[C@@H](Cc1cncnc1)c1ccnc(N2CCS(=O)(=O)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 4/20 0.38
▸ SOS1 Q07889 2/20 0.37
▸ KRAS P01116 1/20 0.37
▸ LRRK2 Q5S007 2/20 0.34
▸ ACHE P22303 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL19120291 0.88 WNT3A (0.37) WNT3ASOS1KRASLRRK2ACHE
SCHEMBL19120153 0.79 PANK3 (0.42) WNT3ASOS1KRASLRRK2ACHE
SCHEMBL19148011 0.69 GRIN2D (0.50) WNT3ASOS1KRASMEN1KMT2A
SCHEMBL22201730 0.67 HRH4 (0.51) LRRK2MEN1KMT2AHRH4
SCHEMBL19322639 0.67 MEN1 (0.47) LRRK2MEN1KMT2APIK3CALMNA
SCHEMBL16019498 0.65 PANK3 (0.48) MEN1KMT2ALMNAHRH4
SCHEMBL18235626 0.64 PANK3 (0.44) WNT3A
SCHEMBL11960332 0.64 LRRK2 (0.43) SOS1KRASLRRK2HRH4
SCHEMBL18931264 0.64 PIK3CA (0.51) LRRK2MEN1KMT2APIK3CAMTOR
SCHEMBL10203431 0.63 HRH4 (0.56) LRRK2DRD2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179592-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2021-06-17 — — US 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-20210179592-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, ARRB1 WNT3A 884/4885SOS1 3175/4885KRAS 1195/4885

“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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