SCHEMBL15935201

SCHEMBL15935201

CC(C)(C)c1ccccc1C1CNC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNB2 P17787 5/20 0.46
CHRNA4 P43681 5/20 0.46
HTR2C P28335 8/20 0.44
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2A P28223 5/20 0.36
HTR2B P41595 5/20 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
SCHEMBL17300871 0.86 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4HTR2C
SCHEMBL19170608 0.85 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4HTR2C
SCHEMBL17300855 0.83 HTR2C (0.45) HTR2CHTR2AHTR2B
SCHEMBL15935173 0.83 HTR2C (0.45) HTR2CHTR2AHTR2B
SCHEMBL17300856 0.83 HTR2C (0.45) HTR2CHTR2AHTR2B
SCHEMBL15935172 0.81 HTR2C (0.69) HTR2C
SCHEMBL30075655 0.81 HTR2C (0.69) HTR2C
SCHEMBL22426585 0.78 ALDH1A1 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4HTR2C
SCHEMBL16335849 0.76 HTR2C (0.44) HTR2CALDH1A1TSHRTDP1
SCHEMBL15935185 0.74 ALDH1A1 (0.38) CHRNB2CHRNA4HTR2CALDH1A1TSHR

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 12 patents. 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-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-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-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 US disclosed
US-20160368907-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-12-22 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-20140221345-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-08-07 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 (8 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-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CHRNB4 4186/4885CHRNA3 3538/4885CHRNB2 4101/4885
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CHRNB4 4289/4885CHRNA3 3698/4885CHRNB2 4064/4885
US-20140221345-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CHRNB4 4289/4885CHRNA3 3698/4885CHRNB2 4064/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 CHRNB4 4167/4885CHRNA3 3635/4885CHRNB2 4027/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 CHRNB4 4186/4885CHRNA3 3538/4885CHRNB2 4101/4885
US-20160368907-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CHRNB4 4289/4885CHRNA3 3698/4885CHRNB2 4064/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CHRNB4 4186/4885CHRNA3 3538/4885CHRNB2 4101/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 CHRNB4 4167/4885CHRNA3 3635/4885CHRNB2 4027/4885

“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.