SCHEMBL4406591

SCHEMBL4406591

CC(=O)Nc1ccc2c(c1)C1CC2CN(C(=O)C(F)(F)F)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.59
CHRNA4 P43681 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PREP P48147 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRND Q07001 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37

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
SCHEMBL6390039 0.93 CHRNB2 (0.52) CHRNB2CHRNA4L3MBTL1MEN1KMT2A
SCHEMBL14590318 0.87 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL4410052 0.83 CHRNB2 (0.56) CHRNB2CHRNA4SMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6825260 0.83 CHRNA4 (0.57) CHRNB2CHRNA4L3MBTL1KDM4EALDH1A1
SCHEMBL4406850 0.79 ESR1 (0.52) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL31512129 0.78 ESR1 (0.40) CHRNB2CHRNA4ALDH1A1HPGDCHRNA1
SCHEMBL4407833 0.78 ESR1 (0.40) CHRNB2CHRNA4KDM4ECHRNA1CHRNG
SCHEMBL29761239 0.78 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL4686593 0.78 CHRNB2 (0.46) CHRNB2CHRNA4DPP4
SCHEMBL3564889 0.78 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1

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 26 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-1383733-A2 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2004-01-28 EP 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
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-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 CHRNB2 255/4885CHRNA4 241/4885L3MBTL1 2914/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CHRNB2 297/4885CHRNA4 236/4885L3MBTL1 3913/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885L3MBTL1 2914/4885
US-20020111350-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885L3MBTL1 2914/4885
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS GRIN2C, GRIN2A, GRIN2B CHRNB2 221/4885CHRNA4 151/4885L3MBTL1 2582/4885
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds INTS6, CYP1B1, CYP1A2 CHRNB2 1306/4885CHRNA4 1447/4885L3MBTL1 4822/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885L3MBTL1 2914/4885

“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.