SCHEMBL8129763

SCHEMBL8129763

CN(C)CCOc1ccccc1C(C)(C)C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.82
ALDH1A1 P00352 6/20 0.82
HTR7 P34969 3/20 0.59
HTR1B P28222 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 2/20 0.54
MAPK1 P28482 1/20 0.54
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
RBP4 P02753 1/20 0.52
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL12603033 0.88 ALDH1A1 (0.67) KDM4EALDH1A1HTR7HTR1BCYP1A2
SCHEMBL21686074 0.82 ALDH1A1 (0.63) KDM4EALDH1A1HTR7CYP1A2CYP2D6
SCHEMBL17955459 0.80 KDM4E (0.57) KDM4EALDH1A1HTR7HTR1BGAA
SCHEMBL17501736 0.80 KDM4E (0.68) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10603372 0.79 CYP1A2 (0.58) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL20017088 0.79 KDM4E (0.57) KDM4EALDH1A1HTR7HTR1BGAA
SCHEMBL16127819 0.79 KDM4E (0.75) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL17515793 0.79 KDM4E (0.67) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL18353980 0.78 CYP1A2 (0.57) KDM4EALDH1A1HTR7CYP1A2CYP2D6
SCHEMBL12384894 0.78 CYP1A2 (0.57) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-11-14 US disclosed
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2019-03-21 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-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-9765068-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 US disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 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
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-07-09 US disclosed
US-8940726-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-01-27 US disclosed
US-8835644-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-09-16 US disclosed
US-20140221345-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-08-07 US disclosed
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 US disclosed
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 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 (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-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 KDM4E 1663/4885ALDH1A1 1827/4885HTR7 3191/4885
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4E 36/4885ALDH1A1 1890/4885HTR7 3240/4885
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KDM4E 36/4885ALDH1A1 2460/4885HTR7 4142/4885
US-20140221345-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KDM4E 36/4885ALDH1A1 2460/4885HTR7 4142/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4E 33/4885ALDH1A1 2705/4885HTR7 3561/4885
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KDM4E 36/4885ALDH1A1 2460/4885HTR7 4142/4885
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KDM4E 33/4885ALDH1A1 2426/4885HTR7 4231/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4E 36/4885ALDH1A1 1890/4885HTR7 3240/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 KDM4E 4343/4885ALDH1A1 4060/4885HTR7 2074/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KDM4E 16/4885ALDH1A1 3825/4885HTR7 3638/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4E 33/4885ALDH1A1 2705/4885HTR7 3561/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4E 36/4885ALDH1A1 2021/4885HTR7 3423/4885

“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.