SCHEMBL4406652

SCHEMBL4406652

O=C(N1CC2CC(C1)c1cc([N+](=O)[O-])c(O)cc12)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
KDM1A O60341 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPD P32754 1/20 0.32
HSP90AA1 P07900 1/20 0.32
GPR35 Q9HC97 2/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.32
TTR P02766 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6392586 0.92 CYP2C9 (0.35) ESR1ESR2KDM1ALMNAPOLB
SCHEMBL13916008 0.92 CYP2C9 (0.35) ESR1ESR2LMNAPOLBCYP2C9
SCHEMBL1903629 0.92 CYP2C9 (0.35) ESR1ESR2LMNAPOLBCYP2C9
SCHEMBL29351133 0.92 CYP2C9 (0.35) ESR1ESR2LMNAPOLBCYP2C9
SCHEMBL14567601 0.86 ALDH1A1 (0.37) CYP2C9ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL4712395 0.86 ALDH1A1 (0.36) LMNAPOLBCYP2C9CYP2C19HSP90AA1
SCHEMBL5768823 0.84 CYP2C9 (0.38) ESR1ESR2LMNAPOLBCYP2C9
SCHEMBL13430540 0.81 LMNA (0.32) LMNACYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL4409924 0.80 CHRNB4 (0.53) ESR1ESR2LMNAPOLBHSP90AA1
SCHEMBL4712294 0.79 MAPT (0.36) LMNAPOLBCYP2C9HSP90AA1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044189-B2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2015-02-25 EP disclosed
EP-1619192-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-12-30 EP disclosed
EP-1383733-B1 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2008-03-05 EP disclosed
EP-1044189-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2008-02-13 EP disclosed
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER INC 2007-11-29 US disclosed
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER INC 2007-11-29 US disclosed
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER INC 2007-11-29 US disclosed
US-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US disclosed
US-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US disclosed
US-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US disclosed
US-6897310-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2005-05-24 US disclosed
US-6887884-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2005-05-03 US disclosed
US-6605610-B1 Reducing nicotine addiction; treating neurological and psychological disorders PFIZER INC 2003-08-12 US disclosed
US-20030130260-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-07-10 US disclosed
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds PFIZER INC. 2003-03-27 US disclosed
US-20020132824-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2002-09-19 US disclosed
US-20020111350-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2002-08-15 US disclosed
US-6410550-B1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-25 US disclosed
US-20020072525-A1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-13 US disclosed
US-20020072524-A1 Aryl fused azapolycyclic compounds WADSWORTH JOTHAM (US) 2002-06-13 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-20020132824-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885KDM1A 660/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A ESR1 2825/4885ESR2 1314/4885KDM1A 576/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885KDM1A 660/4885
US-20020111350-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885KDM1A 660/4885
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS GRIN2C, GRIN2A, GRIN2B ESR1 1981/4885ESR2 1248/4885KDM1A 1249/4885
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds INTS6, CYP1B1, CYP1A2 ESR1 2089/4885ESR2 1087/4885KDM1A 338/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885KDM1A 660/4885

“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.