SCHEMBL484892

SCHEMBL484892

CC(C)(C)OC(=O)N1CCC2(CCN(c3ccnc4c(C(F)(F)F)cccc34)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.57
▸ NCF1 P14598 1/20 0.53
▸ SCD5 Q86SK9 1/20 0.42
▸ EIF2AK4 Q9P2K8 2/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ PARP1 P09874 4/20 0.40
▸ TNKS O95271 2/20 0.40
▸ TNKS2 Q9H2K2 2/20 0.40
▸ ACACB O00763 2/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ STK3 Q13188 1/20 0.38
▸ HIPK4 Q8NE63 1/20 0.38

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
SCHEMBL484586 0.88 NCF1 (0.57) CYP11B2NCF1CYP11B1CLK2GSK3A
SCHEMBL31702192 0.82 CYP11B2 (0.54) CYP11B2SCD5EIF2AK4CYP11B1HDAC2
SCHEMBL485007 0.81 CYP11B2 (0.59) CYP11B2SCD5CYP11B1HDAC2ACACB
SCHEMBL13131083 0.81 NCF1 (0.61) CYP11B2NCF1CYP11B1PARP1CLK2
SCHEMBL14996521 0.80 NCF1 (0.63) NCF1PARP1CLK2GSK3AGSK3B
SCHEMBL31700958 0.79 CYP11B2 (0.50) CYP11B2SCD5EIF2AK4PARP1TNKS
SCHEMBL13168258 0.78 NCF1 (0.60) NCF1CLK2GSK3AGSK3BCSNK2A1
SCHEMBL31700699 0.78 CYP11B2 (0.48) CYP11B2SCD5EIF2AK4HDAC2PARP1
SCHEMBL31701356 0.78 CYP11B2 (0.48) CYP11B2SCD5EIF2AK4PARP1TNKS
SCHEMBL31700957 0.77 CYP11B2 (0.60) CYP11B2SCD5CYP11B1HDAC2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 — — EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — WO 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CYP11B2 2150/4885NCF1 2924/4885SCD5 3443/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP11B2 2150/4885NCF1 2924/4885SCD5 3443/4885

“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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