Sugi Predict

Sugi Predict / Compounds / SCHEMBL3557626

SCHEMBL3557626

SCHEMBL3557626

O=[N+]([O-])c1cc(Cl)cc2cccnc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.68
▸ HSP90AB1 P08238 1/20 0.68
▸ PDE10A Q9Y233 1/20 0.63
▸ MAPT P10636 9/20 0.60
▸ ALDH1A1 P00352 8/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ MEN1 O00255 11/20 0.58
▸ KMT2A Q03164 11/20 0.58
▸ KDM4E B2RXH2 6/20 0.51
▸ HTT P42858 6/20 0.51
▸ TDP1 Q9NUW8 6/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ PKM P14618 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ CASP6 P55212 2/20 0.51
▸ OPRK1 P41145 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51

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
SCHEMBL4329054 0.82 MAPT (0.69) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2476277 0.82 HSP90AA1 (0.69) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2472343 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2227640 0.81 HSP90AA1 (1.00) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL6634465 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL29984702 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL27803963 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL5442713 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL949962 0.78 PDE10A (1.00) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL15673222 0.77 MAPT (0.64) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 — — US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 — — US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 — — US disclosed
CN-100408575-C Aryl-8-azabicyclo[3,2,1]octanes for treating depression WYETH CORP (US) 2008-08-06 — — CN disclosed
EP-1888559-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR Wyeth a Corporation of the State of Delaware (US) 2008-02-20 — — EP disclosed
US-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation KANE JOHN L JR 2007-11-01 — — US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 — — US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 — — US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 — — US disclosed
WO-2006135839-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR WYETH (US) 2006-12-21 — — WO disclosed
EP-1390364-B1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-09-29 — — EP disclosed
CN-1509287-A Aryl-8-azabicyclo[3,2,1]octanes for treating depression — 2004-06-30 — — CN disclosed
EP-1390364-A1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION Wyeth (US) 2004-02-25 — — EP disclosed
US-6632824-B2 Have the ability to act at the 5-HT transporter. WYETH 2003-10-14 — — US disclosed
US-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression WYETH 2003-02-13 — — US disclosed
WO-2002096906-A1 ARYL-8-AZABICYCLO[3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH (US) 2002-12-05 — — 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 (3 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-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression HTR1A, HTR1D, HTR2C HSP90AA1 4422/4885HSP90AB1 4247/4885PDE10A 435/4885
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction HTR5A, HTR2C, HTR1D HSP90AA1 3677/4885HSP90AB1 4227/4885PDE10A 447/4885
US-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation MKI67, VEGFA, KDR HSP90AA1 276/4885HSP90AB1 112/4885PDE10A 2141/4885

“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.