SCHEMBL16217397

SCHEMBL16217397

CN(CCN(C)S(C)(=O)=O)c1cc(C(C)(C)C)ccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 2/20 0.32
PIK3CD O00329 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 1/20 0.32
HCRTR1 O43613 5/20 0.31
HCRTR2 O43614 5/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL14349559 0.82 HRH3 (0.50) HRH3KDM4ETRPV1LMNAHCRTR1
SCHEMBL15830304 0.81 HRH3 (0.36) HRH3KDM4EPIK3CDKMT2AALDH1A1
SCHEMBL17403555 0.79 CSNK1D (0.39) HRH3KDM4ETRPV1HCRTR1HCRTR2
SCHEMBL19171118 0.78 IDH1 (0.38) HRH3PIK3CDKMT2AALDH1A1HCRTR1
SCHEMBL16217422 0.78 HCRTR1 (0.39) HRH3TRPV1LMNAHCRTR1HCRTR2
SCHEMBL17342208 0.76
SCHEMBL16217395 0.76 KDM4D (0.40) HRH3KDM4EALDH1A1LMNAPOLB
SCHEMBL16217384 0.75 NOS1 (0.36) HRH3KDM4EPIK3CDTRPV1
SCHEMBL18672961 0.73 HCRTR1 (0.32) HRH3KDM4ETRPV1HCRTR1HCRTR2
SCHEMBL803102 0.71 CYP1A2 (0.40) KDM4ETRPV1KMT2AALDH1A1LMNA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 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
US-20170027935-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-02-02 US disclosed
US-9365519-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2016-06-14 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
US-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-09-10 US disclosed
US-8993555-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-03-31 US disclosed
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-11-06 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 (12 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-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HRH3 1460/4885KDM4E 36/4885PIK3CD 2206/4885
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 HRH3 629/4885KDM4E 36/4885PIK3CD 2144/4885
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof PRMT5, PRMT1, PRMT6 HRH3 1460/4885KDM4E 36/4885PIK3CD 2206/4885
US-10391089-B2 PRMT5 inhibitors and uses therof PRMT5, PRMT1, PRMT6 HRH3 1489/4885KDM4E 98/4885PIK3CD 3430/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 HRH3 1072/4885KDM4E 33/4885PIK3CD 1970/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 HRH3 629/4885KDM4E 36/4885PIK3CD 2144/4885
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HRH3 1460/4885KDM4E 36/4885PIK3CD 2206/4885
US-20170027935-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HRH3 1460/4885KDM4E 36/4885PIK3CD 2206/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 HRH3 629/4885KDM4E 36/4885PIK3CD 2144/4885
US-10980794-B2 PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT6 HRH3 1460/4885KDM4E 36/4885PIK3CD 2206/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 HRH3 1072/4885KDM4E 33/4885PIK3CD 1970/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 HRH3 683/4885KDM4E 36/4885PIK3CD 2141/4885

“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.