Sugi Predict

Sugi Predict / Compounds / SCHEMBL18348014

SCHEMBL18348014

SCHEMBL18348014

CC(C)C(=O)N1CCC2(CCO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ VNN1 O95497 3/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CHRNB3 Q05901 1/20 0.36
▸ CHRNA6 Q15825 1/20 0.36
▸ PRMT5 O14744 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 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
SCHEMBL20470816 0.89 MGLL (0.41) MGLLTSHRALDH1A1L3MBTL1VNN1
SCHEMBL29321296 0.80 MGLL (0.41) MGLLTSHRALDH1A1L3MBTL1EPHX2
SCHEMBL17572809 0.79 SMN1; SMN2 (0.52) TSHRALDH1A1VNN1KMT2ASMN1; SMN2
SCHEMBL19419448 0.77 VNN1 (0.34) MGLLVNN1
SCHEMBL2739925 0.75 DPP4 (0.41) ALDH1A1L3MBTL1VNN1CHRNB2CHRNA3
SCHEMBL19755878 0.75 CHRNB2 (0.41) TSHRALDH1A1L3MBTL1CHRNB2CHRNA3
SCHEMBL21028193 0.75 CYP1A2 (0.44) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL18341792 0.75 VNN1 (0.37) MGLLTSHRALDH1A1L3MBTL1VNN1
SCHEMBL18212350 0.74 CHRNB2 (0.37) TSHRALDH1A1L3MBTL1CHRNB2CHRNA3
SCHEMBL19652202 0.74 CYP1A2 (0.41) ALDH1A1VNN1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426648-B1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2021-05-12 — — EP disclosed
US-10961256-B2 PRMT5 inhibitors CTXT PTY LTD (AU) 2021-03-30 — — US disclosed
EP-3189048-B1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 — — EP disclosed
EP-3426640-B1 PRMT5 INHIBITORS CTXT PTY LTD (AU) 2020-11-18 — — EP disclosed
EP-3426647-B1 TETRAHYDROISOQUINOLINES AS PRMT5-INHIBITORS CTXT PTY LTD (AU) 2020-11-18 — — EP disclosed
US-10647708-B2 Tetrahydroisoquinoline derived PRMT5-inhibitors CTXT PTY. LTD (AU) 2020-05-12 — — US disclosed
US-10550096-B2 Tetrahydroisoquinolines as PRMT5 inhibitors CTXT PTY LTD (AU) 2020-02-04 — — US disclosed
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors CTXT PTY LTD (AU) 2019-09-24 — — US disclosed
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2019-03-07 — — US disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 — — US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 — — US 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-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 — — WO disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 — — 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 (10 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-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors PRMT5, PRMT1, PRMT3 MGLL 4440/4885TSHR 1684/4885ALDH1A1 2987/4885
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 MGLL 4475/4885TSHR 1689/4885ALDH1A1 2910/4885
US-10647708-B2 Tetrahydroisoquinoline derived PRMT5-inhibitors PRMT5, PRMT3, PRMT1 MGLL 4006/4885TSHR 1427/4885ALDH1A1 4354/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 MGLL 4223/4885TSHR 1991/4885ALDH1A1 4190/4885
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 MGLL 3477/4885TSHR 1345/4885ALDH1A1 4294/4885
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 MGLL 3477/4885TSHR 1345/4885ALDH1A1 4294/4885
US-10961256-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 MGLL 3961/4885TSHR 988/4885ALDH1A1 4022/4885
US-10550096-B2 Tetrahydroisoquinolines as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 MGLL 3987/4885TSHR 1225/4885ALDH1A1 4296/4885
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT3, PRMT1 MGLL 4006/4885TSHR 1427/4885ALDH1A1 4354/4885
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 MGLL 3009/4885TSHR 3067/4885ALDH1A1 4646/4885

“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.