SCHEMBL17300702

SCHEMBL17300702

CC(=O)CN(C)Cc1cccc(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.42
▸ HIF1A Q16665 2/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RIPK1 Q13546 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38

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
SCHEMBL16217382 0.90 AOC3 (0.47) ACHEHIF1ATMEM97SIGMAR1CYP1A2
SCHEMBL798028 0.81 SIGMAR1 (0.47) ACHETMEM97SIGMAR1HDAC8MEN1
SCHEMBL13999507 0.80 MEP1B (0.43) ACHECYP1A2CYP2C19HDAC4HDAC2
SCHEMBL16562304 0.78 MEN1 (0.49) ACHEHIF1ATMEM97SIGMAR1HDAC4
SCHEMBL13547858 0.77 CYP1A2 (0.53) ACHECYP1A2CYP2C19HDAC4HDAC2
SCHEMBL3106474 0.77 RAB9A (0.53) ACHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL4678470 0.77 CYP2C19 (0.52) ACHECYP1A2CYP2C19HDAC4HDAC2
SCHEMBL29693639 0.77 EPHX1 (0.51) HIF1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL16559754 0.76 SIGMAR1 (0.40) ACHEHIF1ATMEM97SIGMAR1CYP1A2
SCHEMBL13918966 0.76 ALDH1A1 (0.47) ACHEHIF1ATMEM97SIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — US disclosed
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-17 — — US disclosed
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 — — US disclosed
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 — — 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 (5 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-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 ACHE 2262/4885HIF1A 1590/4885TMEM97 4737/4885
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ACHE 2248/4885HIF1A 1834/4885TMEM97 4715/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 ACHE 2076/4885HIF1A 1493/4885TMEM97 4462/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ACHE 2387/4885HIF1A 1795/4885TMEM97 4795/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 ACHE 2386/4885HIF1A 1520/4885TMEM97 4454/4885

“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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