SCHEMBL14870523

SCHEMBL14870523

CC(C)(C)OC(=O)N1CC2CCC[C@@H]2C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.60
HPGD P15428 1/20 0.50
EPHX1 P07099 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PREP P48147 2/20 0.45
GPR119 Q8TDV5 4/20 0.44
RECQL P46063 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
LIPE Q05469 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL8256164 1.00 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL500506 1.00 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL23963745 1.00 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL21774419 1.00 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL29180653 0.96 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL20031478 0.96 NR1H2 (0.60) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL12620803 0.94 NR1H2 (0.58) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL23906106 0.92 NR1H2 (0.64) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL4525698 0.91 NR1H2 (0.55) NR1H2HPGDEPHX1USP2SMN1; SMN2
SCHEMBL13698857 0.91 NR1H2 (0.55) NR1H2HPGDEPHX1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4198024-A1 PYRAZOLE MAGL INHIBITORS H. Lundbeck A/S (DK) 2023-06-21 EP disclosed
EP-3630744-B1 PYRAZOLE MAGL INHIBITORS H LUNDBECK AS (DK) 2023-01-25 EP disclosed
WO-2022212819-A1 INDAZOLE DERIVATIVES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2022-10-06 WO disclosed
WO-2022140499-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2022-06-30 WO disclosed
WO-2021216949-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 WO disclosed
WO-2021216951-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 WO disclosed
WO-2021067696-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-04-08 WO disclosed
WO-2019079783-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2019-04-25 WO disclosed
US-20130096277-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-18 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-20130096277-A1 PROCESSES AND INTERMEDIATES CYP1B1, CYP3A7, CYP7A1 NR1H2 449/4885HPGD 1661/4885EPHX1 399/4885

“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.