Sugi Predict

Sugi Predict / Compounds / SCHEMBL2761933

SCHEMBL2761933

SCHEMBL2761933

Nc1ccc(CCN2CCC(O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 2/20 0.63
▸ SIGMAR1 Q99720 3/20 0.55
▸ HRH3 Q9Y5N1 2/20 0.51
▸ ACHE P22303 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ CCR3 P51677 1/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ KCNA3 P22001 1/20 0.45

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
SCHEMBL15650736 0.90 SIGMAR1 (0.60) SPHK1SIGMAR1HRH3ACHEHTR2A
SCHEMBL14100275 0.84 SPHK1 (0.65) SPHK1HRH3ACHELTA4HKCNH2
SCHEMBL3142114 0.83 SIGMAR1 (0.53) SPHK1SIGMAR1HRH3ACHELTA4H
SCHEMBL24495209 0.83 SPHK1 (0.63) SPHK1SIGMAR1HRH3ACHELTA4H
SCHEMBL15922472 0.83 SPHK1 (0.68) SPHK1HRH3ACHELTA4HKCNH2
SCHEMBL1457116 0.83 HTR2A (0.64) SPHK1HTR2AHTR2CHTR7HTR6
SCHEMBL3158673 0.82 ALDH1A1 (0.61) SIGMAR1HRH3ACHELTA4H
SCHEMBL4255190 0.82 ACHE (0.69) SPHK1SIGMAR1ACHEKCNH2CCR3
SCHEMBL17660229 0.82 SPHK1 (0.62) SPHK1HRH3ACHELTA4HKCNH2
SCHEMBL8491424 0.81 HTR2A (0.57) SIGMAR1HRH3ACHELTA4HHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 — — EP claimed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — US claimed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 — — EP claimed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 — — WO claimed
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
EP-2748166-B1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND USE THEREOF ASANA BIOSCIENCES LLC (US) 2018-07-11 — — EP disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 — — US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 — — EP disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 — — US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 — — EP disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 — — US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 — — US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — US disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 — — WO disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 — — EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 — — 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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SPHK1 183/4885SIGMAR1 4550/4885HRH3 542/4885
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB SPHK1 1626/4885SIGMAR1 3032/4885HRH3 764/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SPHK1 576/4885SIGMAR1 284/4885HRH3 615/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SPHK1 172/4885SIGMAR1 4627/4885HRH3 592/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SPHK1 172/4885SIGMAR1 4627/4885HRH3 592/4885

“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.