Sugi Predict

Sugi Predict / Compounds / SCHEMBL1800548

SCHEMBL1800548

SCHEMBL1800548

C1CN(C2CCC3(CC2)OCCO3)CCO1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PARP1 P09874 1/20 0.37
▸ L3MBTL3 Q96JM7 2/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 5/20 0.35
▸ LGMN Q99538 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 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
Hydrochloric Acid SCHEMBL3970067 0.98 OPRL1 (0.46) OPRL1SMN1; SMN2L3MBTL1ALDH1A1PARP1
SCHEMBL1799266 0.93 OPRL1 (0.41) OPRL1SMN1; SMN2L3MBTL1ALDH1A1PARP1
SCHEMBL20160889 0.85 L3MBTL3 (0.39) OPRL1L3MBTL1ALDH1A1PARP1L3MBTL3
SCHEMBL18923991 0.85 L3MBTL3 (0.42) OPRL1L3MBTL1ALDH1A1PARP1L3MBTL3
SCHEMBL25352333 0.83 HRH3 (0.45) L3MBTL1ALDH1A1L3MBTL3HRH3
SCHEMBL16374578 0.83 L3MBTL3 (0.41) OPRL1L3MBTL1ALDH1A1PARP1L3MBTL3
SCHEMBL19958761 0.83 L3MBTL3 (0.41) OPRL1L3MBTL1ALDH1A1PARP1L3MBTL3
SCHEMBL1796114 0.80 HRH3 (0.40) OPRL1L3MBTL1ALDH1A1PARP1L3MBTL3
SCHEMBL6032734 0.80 HRH3 (0.36) OPRL1L3MBTL1PARP1L3MBTL3KCNH2
SCHEMBL3307369 0.79 OPRL1 (0.42) OPRL1SMN1; SMN2L3MBTL1ALDH1A1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858367-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-08 — — US disclosed
US-10858367-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-08 — — US disclosed
WO-2018137593-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 — — WO disclosed
WO-2018086589-A1 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES 上海海雁医药科技有限公司 2018-05-17 — — WO disclosed
US-9403804-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 — — US disclosed
US-9403804-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 — — US disclosed
EP-2016058-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-01-06 — — EP disclosed
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 — — EP disclosed
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 — — EP disclosed
US-20140329815-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-11-06 — — US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
WO-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 — — WO disclosed
WO-2007124322-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 — — WO disclosed
US-20070249608-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 — — US disclosed
US-20070249608-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 — — 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 (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-10858367-B2 Compounds LRRK2, PARK7, PINK1 OPRL1 3366/4885SMN1; SMN2 10/4885L3MBTL1 333/4885
US-20070249608-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES OPRL1 732/4885SMN1; SMN2 2358/4885L3MBTL1 1001/4885
US-20140329815-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES OPRL1 732/4885SMN1; SMN2 2358/4885L3MBTL1 1001/4885
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 OPRL1 4016/4885SMN1; SMN2 734/4885L3MBTL1 4739/4885
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 OPRL1 4007/4885SMN1; SMN2 1124/4885L3MBTL1 4629/4885

“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.