Sugi Predict

Sugi Predict / Compounds / SCHEMBL2586915

SCHEMBL2586915

SCHEMBL2586915

CCOC(=O)c1noc2c1CNCC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 9/20 0.55
▸ CHRM2 P08172 5/20 0.49
▸ CHRM4 P08173 5/20 0.49
▸ CHRM5 P08912 5/20 0.49
▸ CHRM1 P11229 5/20 0.49
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HSP90AA1 P07900 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ADORA1 P30542 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
Hydrochloric Acid SCHEMBL2586911 0.99 CHRM3 (0.57) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12486949 0.89 ADORA1 (0.49) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13151524 0.80 MAPT (0.64) HSP90AA1LMNATP53MAPTHSD17B10
SCHEMBL15088287 0.79 CHRM3 (0.51) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL5533290 0.78 CHRM3 (0.63) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL29425141 0.76 CHRM3 (0.47) CHRM3CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL29425111 0.75 CHRM3 (0.50) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12157068 0.74 HSP90AA1 (0.57) CHRM3HTR2CHSP90AA1LMNATP53
SCHEMBL8248859 0.73 ADORA1 (0.44) MAPTADORA1ALOX15
Hydrochloric Acid SCHEMBL31699769 0.72 ADORA1 (0.45) CHRM3MAPTADORA1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 — — US disclosed
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 — — WO disclosed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 — — EP disclosed
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 — — EP disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 — — US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 — — US disclosed
WO-2012117421-A1 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD (IN) 2012-09-07 — — WO disclosed
WO-2012117421-A1 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD (IN) 2012-09-07 — — WO disclosed
EP-2393812-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2011-12-14 — — EP disclosed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 — — US disclosed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 — — US disclosed
EP-2260043-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-15 — — EP disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 — — US disclosed
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 — — WO disclosed
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 — — WO disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 — — US disclosed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 — — WO disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 — — US disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 — — US disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 — — 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 (4 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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 CHRM3 697/4885CHRM2 1290/4885CHRM4 424/4885
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 CHRM3 4850/4885CHRM2 4841/4885CHRM4 4867/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 CHRM3 1235/4885CHRM2 1740/4885CHRM4 2088/4885
US-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B CHRM3 1009/4885CHRM2 758/4885CHRM4 959/4885

“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.