SCHEMBL22330359

SCHEMBL22330359

CC(C)(C)c1c(C(F)(F)F)nc2n1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.36
HSD11B1 P28845 2/20 0.33
MAPK1 P28482 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL12996126 0.88 POLB (0.39) MEN1KMT2APOLBMAPK1PI4KA
SCHEMBL24415145 0.86 POLB (0.42) MEN1KMT2APOLBMAPK1PI4KA
SCHEMBL14752201 0.82 KDM4E (0.37) MEN1KMT2APOLBMAPK1SMN1; SMN2
SCHEMBL22273345 0.75 MEN1 (0.41) MEN1KMT2APOLBHSD11B1MAPK1
SCHEMBL22330447 0.75 MEN1 (0.41) MEN1KMT2APOLBHSD11B1MAPK1
SCHEMBL24656125 0.75 MEN1 (0.35) MEN1KMT2APOLBMAPK1PI4KA
SCHEMBL13377049 0.74 SMN1; SMN2 (0.45) MEN1KMT2APOLBMAPK1SMN1; SMN2
SCHEMBL25632367 0.73 MEN1 (0.36) MEN1KMT2APOLBMAPK1PI4KA
SCHEMBL13377083 0.73 ALDH1A1 (0.47) MEN1KMT2APOLBMAPK1SMN1; SMN2
SCHEMBL13377169 0.71 MEN1 (0.43) MEN1KMT2APOLBMAPK1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
US-20220110933-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS H. LUNDBECK A/S (DK) 2022-04-14 US disclosed
US-11142526-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-10-12 US disclosed
US-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2020-08-13 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 (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-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 MEN1 2363/4885KMT2A 4253/4885POLB 2503/4885
US-20220110933-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS MGLL, LIPA, PNLIP MEN1 1486/4885KMT2A 2542/4885POLB 1541/4885
US-11142526-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, OPRK1 MEN1 2363/4885KMT2A 4253/4885POLB 2503/4885

“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.