SCHEMBL18463247

SCHEMBL18463247

CCOC(=O)N1CCC2(CC1)CNCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.44
JAK1 P23458 1/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 6/20 0.40
SLC6A3 Q01959 6/20 0.40
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37

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
SCHEMBL31580225 0.88 LMNA (0.53) TSHRRECQLJAK1ALDH1A1POLB
SCHEMBL996189 0.82 USP2 (0.49) RECQLSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL23055401 0.82 SMN1; SMN2 (0.41) SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL30485113 0.81 SMN1; SMN2 (0.48) TSHRJAK1ALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL1247006 0.81 USP2 (0.48) RECQLSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL20399244 0.79 MGLL (0.45) JAK1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL23301955 0.79 MEN1 (0.55) ALDH1A1SMN1; SMN2KMT2AL3MBTL1SLC6A2
SCHEMBL12334940 0.79 SLC6A2 (0.39) JAK1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2139746 0.79 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL8188669 0.78 TSHR (0.55) TSHRRECQLALDH1A1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2018-07-26 US disclosed
US-9845301-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors PFIZER INC. (US) 2017-12-19 US disclosed
US-20170029390-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2017-02-02 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 (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-20170029390-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS MAG, PYM1, HIF1AN TSHR 3456/4885RECQL 3316/4885JAK1 2419/4885
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS MAG, MAGI3, APC TSHR 4221/4885RECQL 896/4885JAK1 3960/4885

“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.