SCHEMBL21378223

SCHEMBL21378223

CN([C@@H]1CC2(CCN(C(=O)O)CC2)OC1C(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 13/20 0.54
▸ SIGMAR1 Q99720 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MMP14 P50281 1/20 0.34

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
SCHEMBL23566792 0.84 MGLL (0.56) MGLLTSHR
SCHEMBL18446417 0.82 MGLL (0.46) MGLLHTR2AHTR2CKMT2AMEN1
SCHEMBL23566785 0.80 MGLL (0.52) MGLLKMT2AALDH1A1SMN1; SMN2MMP2
SCHEMBL23566790 0.80 MGLL (0.52) MGLL
SCHEMBL20399228 0.76 MGLL (0.48) MGLLSIGMAR1HTR2AHTR2CKMT2A
SCHEMBL18423593 0.75 MGLL (0.73) MGLLHTR2AHTR2CKMT2AKDM4E
SCHEMBL18446455 0.72 PDK2 (0.39) MGLLKMT2AMEN1
SCHEMBL20411481 0.71 MGLL (1.00) MGLL
SCHEMBL23881381 0.69 MGLL (0.35) MGLL
SCHEMBL18423071 0.69 MGLL (0.58) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors PFIZER INC. (US) 2020-12-08 — — US disclosed
US-20190292203-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2019-09-26 — — 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-20190292203-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS MAG, MAGI3, APC MGLL 16/4885SIGMAR1 3473/4885HTR2A 1613/4885
US-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors MAG, MAGI3, APC MGLL 16/4885SIGMAR1 3473/4885HTR2A 1613/4885

“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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