Sugi Predict

Sugi Predict / Compounds / SCHEMBL6802602

SCHEMBL6802602

SCHEMBL6802602

CC(C)N(CCOc1ccc(N)cc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.61
▸ TDP1 Q9NUW8 2/20 0.59
▸ ESR1 P03372 3/20 0.58
▸ ESR2 Q92731 3/20 0.58
▸ CHRNB2 P17787 1/20 0.53
▸ CHRNA4 P43681 1/20 0.53
▸ TSHR P16473 1/20 0.48
▸ ACHE P22303 2/20 0.48
▸ MCHR1 Q99705 2/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43

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
SCHEMBL8925103 0.86 TDP1 (0.56) LTA4HTDP1ESR1ESR2CHRNB2
SCHEMBL8510027 0.84 TDP1 (0.58) LTA4HTDP1ESR1ESR2TSHR
SCHEMBL14174986 0.83 LTA4H (0.63) LTA4HESR1ESR2CHRNB2CHRNA4
SCHEMBL5113291 0.81 LTA4H (0.61) LTA4HESR1ESR2CHRNB2CHRNA4
SCHEMBL6443597 0.81 LTA4H (0.75) LTA4HESR1ESR2CHRNB2CHRNA4
SCHEMBL6902137 0.80 TSHR (0.55) LTA4HESR1ESR2CHRNB2CHRNA4
SCHEMBL11711717 0.79 LTA4H (0.51) LTA4HTDP1ESR1ESR2CHRNB2
SCHEMBL7074594 0.79 LTA4H (0.67) LTA4HESR1ESR2CHRNB2CHRNA4
SCHEMBL9936830 0.79 LTA4H (0.67) LTA4HESR1ESR2CHRNB2CHRNA4
SCHEMBL2022333 0.79 KCNH2 (0.56) LTA4HTDP1TSHRACHEKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor JOHNSON CHRISTOPHER NORBERT (GB) 2004-04-01 — — US claimed
EP-1305304-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM PLC (GB) 2003-05-02 — — EP claimed
WO-2002010146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-07 — — WO claimed
EP-4327886-A2 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Libertas Bio, Inc. (US) 2024-02-28 — — EP disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
EP-1305304-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM PLC (GB) 2003-05-02 — — EP disclosed
EP-1001766-B1 COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2003-04-09 — — EP disclosed
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 — — US disclosed
WO-2002010146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-07 — — WO disclosed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 — — EP disclosed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 — — EP disclosed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 — — EP disclosed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 — — WO disclosed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 — — 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 (6 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LTA4H 1358/4885TDP1 1953/4885ESR1 2103/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK LTA4H 1305/4885TDP1 992/4885ESR1 2629/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LTA4H 1358/4885TDP1 1953/4885ESR1 2103/4885
US-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor CNR1, GPR3, CCKAR LTA4H 1409/4885TDP1 4053/4885ESR1 368/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LTA4H 1373/4885TDP1 1914/4885ESR1 2303/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LTA4H 1373/4885TDP1 1914/4885ESR1 2303/4885

“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.