SCHEMBL17572002

SCHEMBL17572002

CC(=O)N1CCOC(C)(C)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 1/20 0.35
CNR2 P34972 2/20 0.35
PRMT5 O14744 2/20 0.34
PLAT P00750 1/20 0.34
PDE7B Q9NP56 1/20 0.33
GRIN2B Q13224 1/20 0.33
EPHX2 P34913 1/20 0.33
PDE9A O76083 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL21816817 0.85 SMN1; SMN2 (0.39) SMN1; SMN2GAAGRM5CNR2PRMT5
SCHEMBL15116671 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GAAGRM5CNR2PRMT5
SCHEMBL21197563 0.83 GAA (0.39) SMN1; SMN2GAAGRM5CNR2PRMT5
SCHEMBL15531346 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GAAGRM5CNR2PRMT5
SCHEMBL15114464 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GAAGRM5CNR2PRMT5
Hydrochloric Acid SCHEMBL4247948 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GAAGRM5CNR2PRMT5
SCHEMBL21565793 0.80 GRIN2B (0.37) SMN1; SMN2GAAGRM5CNR2PRMT5
SCHEMBL20671838 0.80 ALDH1A1 (0.48) SMN1; SMN2GAAGRM5CNR2PRMT5
SCHEMBL19341292 0.80 PDE9A (0.39) SMN1; SMN2GAAGRM5CNR2PRMT5
SCHEMBL20190860 0.80 GRIN2B (0.39) SMN1; SMN2GAAGRM5CNR2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
EP-3858832-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-08-04 EP disclosed
US-10647708-B2 Tetrahydroisoquinoline derived PRMT5-inhibitors CTXT PTY. LTD (AU) 2020-05-12 US disclosed
WO-2019016385-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2019-01-24 WO disclosed
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-11-02 US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-05 US disclosed
WO-2017153515-A1 TETRAHYDROISOQUINOLINES AS PRMT5-INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153518-A1 PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
WO-2016034675-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
WO-2016034671-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO 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-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 SMN1; SMN2 3457/4885CYP1A2 820/4885TDP1 1710/4885
US-10647708-B2 Tetrahydroisoquinoline derived PRMT5-inhibitors PRMT5, PRMT3, PRMT1 SMN1; SMN2 2617/4885CYP1A2 1990/4885TDP1 2159/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 SMN1; SMN2 2876/4885CYP1A2 1959/4885TDP1 2047/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD SMN1; SMN2 532/4885CYP1A2 749/4885TDP1 1782/4885
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT3, PRMT1 SMN1; SMN2 2617/4885CYP1A2 1990/4885TDP1 2159/4885

“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.