SCHEMBL485007

SCHEMBL485007

CC(C)(C)OC(=O)N1CCC2(CCN(c3ccncc3C(F)(F)F)CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.59
▸ NAMPT P43490 4/20 0.44
▸ ACACB O00763 3/20 0.44
▸ SCD5 Q86SK9 1/20 0.43
▸ GPR119 Q8TDV5 5/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HIF1A Q16665 2/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL30329030 0.89 EIF2AK4 (0.47) CYP11B2GPR119CYP3A4CYP2D6CYP2C9
SCHEMBL30328216 0.87 EIF2AK4 (0.51) CYP11B2NAMPTGPR119CYP3A4CYP2D6
SCHEMBL2423408 0.85 GPR119 (0.55) GPR119ALDH1A1
SCHEMBL13156810 0.85 CYP11B2 (0.61) CYP11B2NAMPTACACBSCD5GPR119
SCHEMBL30329134 0.83 NAMPT (0.45) CYP11B2NAMPTACACBGPR119HDAC2
SCHEMBL31700957 0.81 CYP11B2 (0.60) CYP11B2NAMPTACACBSCD5GPR119
SCHEMBL484892 0.81 CYP11B2 (0.57) CYP11B2NAMPTACACBSCD5HDAC2
SCHEMBL19693453 0.81 CYP11B2 (0.57) CYP11B2NAMPTACACBSCD5GPR119
SCHEMBL484102 0.81 HIF1A (0.63) CYP11B2CYP3A4CYP2D6CYP2C9HIF1A
SCHEMBL13156818 0.80 CYP11B2 (0.56) CYP11B2NAMPTACACBHDAC2CYP3A4

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 2150/4885NAMPT 2232/4885ACACB 4258/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP11B2 2150/4885NAMPT 2232/4885ACACB 4258/4885

“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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