SCHEMBL5540803

SCHEMBL5540803

CC(C)(C)OC(=O)C1CCC(CN)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.52
PLAT P00750 1/20 0.52
LMNA P02545 1/20 0.52
HRH3 Q9Y5N1 1/20 0.42
F2 P00734 1/20 0.41
KMT2A Q03164 2/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
NR1H2 P55055 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6774358 1.00 PLG (0.52) PLGPLATLMNAHRH3F2
SCHEMBL25733025 0.87 HRH3 (0.41) PLGPLATLMNAHRH3F2
SCHEMBL1295721 0.84 HRH3 (0.51) HRH3KMT2AALDH1A1MEN1TSHR
SCHEMBL28492122 0.84 HRH3 (0.51) HRH3KMT2AALDH1A1MEN1TSHR
SCHEMBL186721 0.84 HRH3 (0.51) HRH3KMT2AALDH1A1MEN1TSHR
SCHEMBL30728039 0.83 NR1H2 (0.47) HRH3KMT2ATHRATHRBNR1H2
SCHEMBL18873171 0.83 NR1H2 (0.47) HRH3KMT2ATHRATHRBNR1H2
SCHEMBL30728036 0.83 NR1H2 (0.47) HRH3KMT2ATHRATHRBNR1H2
SCHEMBL19757942 0.83 HRH3 (0.43) HRH3KMT2ATHRATHRBNR1H2
SCHEMBL24790884 0.81 HRH3 (0.42) HRH3KMT2ATHRATHRBNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
EP-3507281-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2019-07-10 EP disclosed
US-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-07-04 US disclosed
EP-3442947-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme Inc (US) 2019-02-20 EP disclosed
WO-2018041964-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-08 WO disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
US-6683055-B1 GUANIDINE OR AMIDINE TERMINED PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
CN-1351609-A Low molecular weight complement protease inhibitors BASF AG (DE) 2002-05-29 CN disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 PLG 4598/4885PLAT 4753/4885LMNA 3564/4885
US-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS BRD4, BRPF3, BRD3 PLG 4794/4885PLAT 4708/4885LMNA 3849/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 PLG 4598/4885PLAT 4753/4885LMNA 3564/4885
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 PLG 4400/4885PLAT 3362/4885LMNA 3503/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 PLG 4282/4885PLAT 2643/4885LMNA 4134/4885

“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.