SCHEMBL484867

SCHEMBL484867

CC(C)(C)OC(=O)N1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.54
USP2 O75604 2/20 0.47
CYP2C9 P11712 2/20 0.47
ACACB O00763 5/20 0.46
GPR119 Q8TDV5 4/20 0.45
CYP3A4 P08684 3/20 0.44
EIF2AK4 Q9P2K8 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SCD5 Q86SK9 1/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
HDAC2 Q92769 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL30328302 0.93 CYP11B2 (0.49) CYP11B2USP2CYP2C9ACACBGPR119
SCHEMBL23742297 0.88 CYP11B2 (0.56) CYP11B2ACACBGPR119CYP3A4HSD17B10
SCHEMBL25309495 0.86 GPR119 (0.52) CYP11B2USP2CYP2C9GPR119EIF2AK4
SCHEMBL485352 0.84 CYP3A4 (0.62) CYP11B2USP2CYP2C9GPR119CYP3A4
SCHEMBL21521091 0.84 GPR119 (0.60) GPR119MAPTSMN1; SMN2
SCHEMBL30860099 0.84 GPR119 (0.46) CYP11B2GPR119MAPTSMN1; SMN2
SCHEMBL30860098 0.84 GPR119 (0.46) CYP11B2GPR119MAPTSMN1; SMN2
SCHEMBL484575 0.83 USP2 (0.52) USP2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL31381898 0.82 GPR119 (0.46) GPR119EIF2AK4MAPT
SCHEMBL485220 0.81 CYP11B2 (0.53) CYP11B2GPR119CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336596-A1 PARP7 INHIBITOR AND USE THEREOF NOVOSTAR PHARMACEUTICALS, LTD. (CN) 2024-10-10 US disclosed
CN-115785074-B PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2024-05-07 CN disclosed
EP-4338737-A1 PARP7 INHIBITOR AND USE THEREOF Novostar Pharmaceuticals, Ltd. (CN) 2024-03-20 EP disclosed
WO-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 WO disclosed
CN-115785074-A PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2023-03-14 CN disclosed
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 (3 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 2150/4885USP2 4864/4885CYP2C9 2259/4885
US-20240336596-A1 PARP7 INHIBITOR AND USE THEREOF PARP1, PARP3, PARP11 CYP11B2 838/4885USP2 3661/4885CYP2C9 2250/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP11B2 2150/4885USP2 4864/4885CYP2C9 2259/4885

“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.