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SCHEMBL4410052

SCHEMBL4410052

CC(=O)c1ccc2c(c1)C1CC2CN(C(=O)C(F)(F)F)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.56
▸ CHRNA4 P43681 2/20 0.56
▸ CHRNA1 P02708 1/20 0.56
▸ CHRNG P07510 1/20 0.56
▸ CHRNB1 P11230 1/20 0.56
▸ CHRNB4 P30926 1/20 0.56
▸ CHRNA3 P32297 1/20 0.56
▸ CHRND Q07001 1/20 0.56
▸ RARG P13631 2/20 0.40
▸ RARB P10826 1/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ SLC9A1 P19634 2/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ SLC9A2 Q9UBY0 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL5767104 0.92 CHRNA1 (0.49) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL4406591 0.83 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL7694165 0.83 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL4406850 0.82 ESR1 (0.52) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL4689281 0.81 ALDH1A1 (0.47) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL4686593 0.81 CHRNB2 (0.46) CHRNB2CHRNA4ESR1ESR2CYP3A4
SCHEMBL4407833 0.81 ESR1 (0.40) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL29761239 0.81 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL31512129 0.81 ESR1 (0.40) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL3564889 0.81 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 23 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
US-20050261332-A1 Sulfonamides and uses thereof ELIXIR PHARMACEUTICALS, INC. 2005-11-24 — — 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-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

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 241/4885CHRNA1 375/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CHRNB2 297/4885CHRNA4 236/4885CHRNA1 397/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885CHRNA1 375/4885
US-20050261332-A1 Sulfonamides and uses thereof GLS2, STS, ABAT CHRNB2 4398/4885CHRNA4 4538/4885CHRNA1 4865/4885
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS GRIN2C, GRIN2A, GRIN2B CHRNB2 221/4885CHRNA4 151/4885CHRNA1 517/4885
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds INTS6, CYP1B1, CYP1A2 CHRNB2 1306/4885CHRNA4 1447/4885CHRNA1 1631/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885CHRNA1 375/4885

“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.