SCHEMBL4407063

SCHEMBL4407063

Nc1cc2c(cc1O)C1CC2CN(C(=O)C(F)(F)F)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TERT O14746 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
SCHEMBL6390938 0.91 ESR1 (0.37) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL13561414 0.91 ESR1 (0.37) ESR1ESR2
SCHEMBL225186 0.91 ESR1 (0.37) ESR1ESR2
SCHEMBL29352110 0.91 ESR1 (0.37) ESR1ESR2
SCHEMBL6395748 0.82 ESR1 (0.37) ESR1ESR2
SCHEMBL4416261 0.81 ESR1 (0.36) ESR1ESR2MEN1KMT2ATERT
SCHEMBL4712395 0.80 ALDH1A1 (0.36) MEN1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL29761239 0.80 CHRNB2 (0.46) ESR1ESR2
SCHEMBL3564889 0.80 CHRNB2 (0.46) ESR1ESR2
SCHEMBL4689632 0.79 CHRNB2 (0.41) ESR1ESR2

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 30 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-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US disclosed
US-7186870-B2 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds PFIZER INC (US) 2007-03-06 US disclosed
US-7144882-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-12-05 US disclosed
US-7091372-B2 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds PFIZER INC (US) 2006-08-15 US disclosed
EP-1259489-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2006-06-07 EP disclosed
EP-1259489-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2002-11-27 EP disclosed
WO-2002085843-A2 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-10-31 WO 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-20020072524-A1 Aryl fused azapolycyclic compounds WADSWORTH JOTHAM (US) 2002-06-13 US disclosed
US-20020072525-A1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-13 US disclosed
WO-2001062736-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-08-30 WO disclosed
EP-1044189-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2000-10-18 EP disclosed
WO-1999035131-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-07-15 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-20020132824-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885KDM4E 1202/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885KDM4E 1202/4885
US-20020111350-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885KDM4E 1202/4885
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS GRIN2C, GRIN2A, GRIN2B ESR1 1981/4885ESR2 1248/4885KDM4E 1143/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885KDM4E 1202/4885

“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.