Sugi Predict

Sugi Predict / Compounds / SCHEMBL61591

SCHEMBL61591

SCHEMBL61591

CCc1cccc(CC)c1OBOc1c(CC)cccc1CC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.46
▸ GABRB2 P47870 4/20 0.46
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MGLL Q99685 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ SCN5A Q14524 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ ELANE P08246 1/20 0.31

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
SCHEMBL11361204 0.77 GABRA1 (0.52) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL8408142 0.75 GABRA1 (0.50) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL410908 0.74 L3MBTL1 (0.52) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL2122566 0.74 KMT2A (0.31) —
SCHEMBL10406455 0.74 GABRA1 (0.40) GABRA1GABRB2MAPTNPSR1L3MBTL1
SCHEMBL11520376 0.73 GABRA1 (0.54) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL5450148 0.71 GABRA1 (0.47) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL31629366 0.70 GABRA1 (0.50) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL8166933 0.70 GABRA1 (0.44) GABRA1GABRB2NLRP3TP53KCNH2
SCHEMBL14966176 0.70 GABRA1 (0.44) GABRA1GABRB2ADRA2AADRA2BADRA2C

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-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 — — US disclosed
EP-1745024-B1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NOVARTIS INT PHARM LTD (BM) 2012-04-25 — — EP disclosed
EP-1565452-B1 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NOVARTIS INT PHARM LTD (BM) 2012-04-04 — — EP disclosed
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 — — US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 — — US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 — — US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 — — US disclosed
US-7915288-B2 1-aryl-4-substituted isoquinolines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-29 — — US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 — — US disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 — — US disclosed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 — — US disclosed
WO-2005110991-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2005-11-24 — — WO disclosed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 — — WO disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 — — EP disclosed
WO-2005007087-A2 SUBSTITUTED (HETEROCYCLOALKYL)METHYL AZOLE DERIVATIVES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-01-27 — — WO disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 — — EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 — — US disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 — — US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 — — WO disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 — — 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 GABRA1 1368/4885GABRB2 2865/4885ADRA2A 104/4885
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C3AR1, C5AR1 GABRA1 1866/4885GABRB2 2591/4885ADRA2A 78/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 GABRA1 2402/4885GABRB2 3127/4885ADRA2A 82/4885
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines MMP25, MMP9, MMP3 GABRA1 4621/4885GABRB2 4724/4885ADRA2A 3515/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 GABRA1 1186/4885GABRB2 2657/4885ADRA2A 74/4885

“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.