SCHEMBL19120153

SCHEMBL19120153

CC(C)c1ccnc(N2CCS(=O)(=O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 2/20 0.42
▸ SOS1 Q07889 2/20 0.41
▸ KRAS P01116 1/20 0.41
▸ HRH4 Q9H3N8 2/20 0.39
▸ LRRK2 Q5S007 2/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ CDK1 P06493 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 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
SCHEMBL16019498 0.85 PANK3 (0.48) PANK3HRH4KMT2AMEN1NPC1
SCHEMBL10203431 0.83 HRH4 (0.56) PANK3HRH4LRRK2CYP1A2
SCHEMBL4547903 0.82 HRH4 (0.47) PANK3HRH4LRRK2KMT2AMEN1
SCHEMBL2737324 0.82 HRH4 (0.51) PANK3HRH4LRRK2KMT2AMEN1
SCHEMBL11951622 0.81 HRH4 (0.54) PANK3HRH4LRRK2NPC1GAA
SCHEMBL19120291 0.80 WNT3A (0.37) PANK3SOS1KRASHRH4LRRK2
SCHEMBL19148011 0.80 GRIN2D (0.50) SOS1KRASHRH4WNT3ACDK1
SCHEMBL23514016 0.79 WNT3A (0.38) SOS1KRASHRH4LRRK2WNT3A
SCHEMBL1911474 0.78 PIK3CA (0.54) LRRK2PIK3CACYP2C19
SCHEMBL13428642 0.78 ADRB1 (0.55) PANK3HRH4CYP1A2

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-10829480-B2 3-((hetero-)aryl)-alkyl-8-amino-2-oxo-l,3-diaza-spiro-[4.5]-decane derivatives GRUENENTHAL GMBH (DE) 2020-11-10 — — US disclosed
US-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 — — 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 (2 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-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, ARRB1 PANK3 3785/4885SOS1 3175/4885KRAS 1195/4885
US-10829480-B2 3-((hetero-)aryl)-alkyl-8-amino-2-oxo-l,3-diaza-spiro-[4.5]-decane derivatives OPRD1, OPRK1, OPRL1 PANK3 3806/4885SOS1 3226/4885KRAS 1210/4885

“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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