SCHEMBL18422804

SCHEMBL18422804

COc1ccc(COC[C@@H](OC(=O)N2CCC3(CCNC3)CC2)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ MGLL Q99685 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18422808 1.00 ALDH1A1 (0.41) ALDH1A1MGLLTACR1CYP3A4CYP1A2
SCHEMBL18418164 0.86 MGLL (0.42) ALDH1A1MGLLTACR1
SCHEMBL18418160 0.86 MGLL (0.42) ALDH1A1MGLLTACR1
SCHEMBL20396109 0.85 MGLL (0.41) ALDH1A1MGLLCYP3A4CYP1A2CYP2D6
SCHEMBL20396110 0.85 MGLL (0.41) ALDH1A1MGLLCYP3A4CYP1A2CYP2D6
SCHEMBL20396184 0.84 MGLL (0.40) ALDH1A1MGLLCYP3A4CYP1A2CYP2D6
SCHEMBL20396182 0.84 MGLL (0.40) ALDH1A1MGLLCYP3A4CYP1A2CYP2D6
SCHEMBL18422207 0.83 CYP3A4 (0.43) ALDH1A1MGLLCYP3A4CYP1A2
SCHEMBL20396040 0.83 MGLL (0.39) ALDH1A1MGLLTACR1CYP3A4CYP1A2
SCHEMBL20396039 0.83 MGLL (0.39) ALDH1A1MGLLTACR1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328849-B9 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 (US) 2021-01-06 — — EP disclosed
EP-3328849-B1 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 (US) 2020-09-09 — — EP disclosed
US-10723711-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) 2020-07-28 — — US disclosed
US-10428034-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) 2019-10-01 — — US disclosed
US-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 — — US disclosed
US-10259803-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-16 — — US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 — — US disclosed
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 — — US disclosed
US-20180065943-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) 2018-03-08 — — 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-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-09-14 — — US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 — — 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 (10 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 ALDH1A1 471/4885MGLL 22/4885TACR1 1820/4885
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 ALDH1A1 1717/4885MGLL 459/4885TACR1 847/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 ALDH1A1 1717/4885MGLL 459/4885TACR1 847/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 ALDH1A1 1717/4885MGLL 459/4885TACR1 847/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 ALDH1A1 1717/4885MGLL 459/4885TACR1 847/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 ALDH1A1 1717/4885MGLL 459/4885TACR1 847/4885
US-20180065943-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 ALDH1A1 471/4885MGLL 22/4885TACR1 1820/4885
US-10259803-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 ALDH1A1 1717/4885MGLL 459/4885TACR1 847/4885
US-10723711-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 MAG, PYM1, HIF1AN ALDH1A1 471/4885MGLL 22/4885TACR1 1820/4885
US-10428034-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 MAG, PYM1, HIF1AN ALDH1A1 471/4885MGLL 22/4885TACR1 1820/4885

“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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