Sugi Predict

Sugi Predict / Compounds / SCHEMBL61507

SCHEMBL61507

SCHEMBL61507

NC[C@H]1CCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.59
▸ HTR2A P28223 3/20 0.59
▸ RET P07949 1/20 0.59
▸ ADRA2A P08913 2/20 0.52
▸ ADRA2B P18089 2/20 0.52
▸ ADRA2C P18825 2/20 0.52
▸ ADRA1D P25100 2/20 0.52
▸ ADRA1A P35348 2/20 0.52
▸ ADRA1B P35368 2/20 0.52
▸ IDO1 P14902 2/20 0.50
▸ HTR2C P28335 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ PDPK1 O15530 1/20 0.46
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44

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
SCHEMBL62360 1.00 HTR6 (0.59) HTR6HTR2ARETADRA2AADRA2B
SCHEMBL29681415 1.00 HTR6 (0.59) HTR6HTR2ARETADRA2AADRA2B
Hydrochloric Acid SCHEMBL15818880 0.98 HTR6 (0.57) HTR6HTR2ARETADRA2AADRA2B
SCHEMBL643387 0.88 HTR6 (0.56) HTR6HTR2ARETIDO1
Hydrochloric Acid SCHEMBL27196405 0.86 HTR6 (0.55) HTR6HTR2ARETIDO1
SCHEMBL428148 0.86 HTR2A (0.53) HTR6HTR2ARETIDO1
SCHEMBL8901289 0.85 HTR6 (0.47) HTR6HTR2ARETADRA2AADRA2B
SCHEMBL29655195 0.84 HTR6 (0.56) HTR6HTR2ARETIDO1HRH1
SCHEMBL7379841 0.84 HTR6 (0.56) HTR6HTR2ARETIDO1HRH1
SCHEMBL27488330 0.81 HTR6 (0.56) HTR6HTR2ARETADRA2BADRA2C

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 18 patents. 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-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-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 — — US disclosed
US-7482350-B2 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORPORATION (US) 2009-01-27 — — US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 — — US disclosed
EP-1745024-A4 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORP (US) 2008-01-09 — — EP disclosed
US-20070249665-A1 1-aryl-4-substituted isoquinolines NEUROGEN CORPORATION (US) 2007-10-25 — — US disclosed
EP-1745024-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2007-01-24 — — EP 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
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 — — 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 (7 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 HTR6 204/4885HTR2A 410/4885RET 1054/4885
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C3AR1, C5AR1 HTR6 237/4885HTR2A 173/4885RET 1067/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 HTR6 204/4885HTR2A 410/4885RET 1054/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 HTR6 197/4885HTR2A 151/4885RET 1151/4885
US-20070249665-A1 1-aryl-4-substituted isoquinolines C3AR1, C5AR1, C5AR2 HTR6 362/4885HTR2A 168/4885RET 1841/4885
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines MMP25, MMP9, MMP3 HTR6 1238/4885HTR2A 2175/4885RET 2656/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 HTR6 167/4885HTR2A 303/4885RET 1827/4885

“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.