Sugi Predict

Sugi Predict / Compounds / SCHEMBL3702146

SCHEMBL3702146

SCHEMBL3702146

CC(C)(C)OC(=O)N1CCCc2cc(O)ccc2C1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 6/20 0.85
▸ NR1H2 P55055 1/20 0.56
▸ ESR1 P03372 5/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ DRD1 P21728 2/20 0.47
▸ DRD5 P21918 2/20 0.47
▸ RIPK1 Q13546 2/20 0.47
▸ ABHD6 Q9BV23 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ DDB1 Q16531 1/20 0.45
▸ CRBN Q96SW2 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44

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
SCHEMBL29598893 0.95 ESR2 (0.76) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL1648703 0.95 ESR2 (0.76) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL29590844 0.92 ESR2 (1.00) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL450677 0.92 ESR2 (1.00) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL545619 0.86 ESR2 (0.90) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL29372093 0.86 ESR2 (0.90) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL1168098 0.86 ESR2 (0.79) ESR2NR1H2ESR1MAPK1ABHD6
SCHEMBL2984097 0.86 ESR2 (0.63) ESR2NR1H2NPC1RAB9AHDAC6
SCHEMBL1263385 0.86 ESR2 (0.63) ESR2NR1H2NPC1RAB9AHDAC6
SCHEMBL4924112 0.86 NR1H2 (0.77) ESR2NR1H2NPC1RAB9AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2022-05-17 — — US disclosed
EP-3728248-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-02-02 — — EP disclosed
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-17 — — US disclosed
EP-2697232-B1 6,7-DIHYDROIMIDAZO[2,1-B][1,3]OXAZINE BACTERICIDES OTSUKA PHARMA CO LTD (JP) 2016-05-18 — — EP disclosed
US-9051333-B2 6,7-dihydroimidazo [2,1-b] [1,3]oxazine bactericides OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-09 — — US disclosed
EP-2697232-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B][1, 3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-19 — — EP disclosed
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 — — US disclosed
WO-2012141338-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B] [1, 3] OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-18 — — WO disclosed
EP-2208727-B1 Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2012-08-29 — — EP disclosed
EP-2208727-B1 Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2012-08-29 — — EP disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 — — US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 — — US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 — — US disclosed
EP-1562595-B1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-05-21 — — EP disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 — — US disclosed
US-20060089347-A1 Substituted azepines as histamine h3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2006-04-27 — — US disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 — — EP disclosed
EP-1539704-A1 SUBSTITUTED AZEPINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-06-15 — — EP disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 — — WO disclosed
WO-2004018432-A1 SUBSTITUTED AZEPINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2004-03-04 — — 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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA ESR2 3924/4885NR1H2 1964/4885ESR1 4483/4885
US-20060089347-A1 Substituted azepines as histamine h3 receptor antagonists, preparation and therapeutic uses HRH3, HRH4, HRH2 ESR2 1276/4885NR1H2 446/4885ESR1 431/4885
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA ESR2 3924/4885NR1H2 1964/4885ESR1 4483/4885
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES BRD1, OXA1L, QDPR ESR2 4473/4885NR1H2 1077/4885ESR1 4400/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 ESR2 127/4885NR1H2 43/4885ESR1 141/4885

“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.