SCHEMBL18466541

SCHEMBL18466541

CC(C)(C)c1cccc(OCCNCC(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.47
▸ PPARG P37231 2/20 0.47
▸ PPARD Q03181 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SPHK2 Q9NRA0 1/20 0.44
▸ SPHK1 Q9NYA1 1/20 0.44
▸ CACNA1B Q00975 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43

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
SCHEMBL19287805 0.85 CACNA1B (0.60) CACNA1BCYP2D6
SCHEMBL12062132 0.84 POLB (0.54) FFAR1PPARGPPARDKDM4EGAA
SCHEMBL15829865 0.82 DRD2 (0.61) PPARDKDM4EALDH1A1KMT2APOLB
SCHEMBL17072667 0.80 KDM4E (0.59) KDM4EGAAALDH1A1POLBL3MBTL1
SCHEMBL14065575 0.79 KDM4E (0.51) FFAR1PPARGPPARDKDM4EPOLB
SCHEMBL16220812 0.78 DRD4 (0.59) GAANPC1RAB9AL3MBTL1SPHK2
SCHEMBL13166741 0.78 FFAR1 (0.50) FFAR1PPARGPPARDKDM4EALDH1A1
SCHEMBL10223563 0.77 MAPT (0.49) FFAR1PPARGPPARDKDM4EGAA
SCHEMBL16217340 0.77 HTR1B (0.58) FFAR1PPARGPPARDKDM4EALDH1A1
SCHEMBL9594379 0.77 LMNA (0.51) FFAR1PPARGPPARDPOLBMAPT

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
US-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2021-10-07 — — US disclosed
US-10980794-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2021-04-20 — — US disclosed
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-11-14 — — US disclosed
US-10391089-B2 PRMT5 inhibitors and uses therof Epizyme, Inc. (US) 2019-08-27 — — US disclosed
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 — — US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 — — US disclosed
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof Epizyme, Inc. (US) 2018-04-12 — — US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 — — US disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 — — US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 — — US disclosed
US-9675614-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-06-13 — — US disclosed
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — US disclosed
US-20170027935-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, 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-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 FFAR1 4378/4885PPARG 2913/4885PPARD 2989/4885
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 FFAR1 4340/4885PPARG 3397/4885PPARD 3104/4885
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof PRMT5, PRMT1, PRMT6 FFAR1 4378/4885PPARG 2913/4885PPARD 2989/4885
US-10391089-B2 PRMT5 inhibitors and uses therof PRMT5, PRMT1, PRMT6 FFAR1 4602/4885PPARG 3546/4885PPARD 3495/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 FFAR1 4340/4885PPARG 3397/4885PPARD 3104/4885
US-20170027935-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 FFAR1 4378/4885PPARG 2913/4885PPARD 2989/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 FFAR1 4340/4885PPARG 3397/4885PPARD 3104/4885
US-10980794-B2 PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT6 FFAR1 4378/4885PPARG 2913/4885PPARD 2989/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 FFAR1 4491/4885PPARG 3848/4885PPARD 4009/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 FFAR1 4267/4885PPARG 3233/4885PPARD 3115/4885

“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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