Sugi Predict

Sugi Predict / Compounds / SCHEMBL4414698

SCHEMBL4414698

SCHEMBL4414698

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 1/20 0.53
▸ CHRNG P07510 1/20 0.53
▸ CHRNB1 P11230 1/20 0.53
▸ CHRNB2 P17787 1/20 0.53
▸ CHRNB4 P30926 1/20 0.53
▸ CHRNA3 P32297 1/20 0.53
▸ CHRNA4 P43681 1/20 0.53
▸ CHRND Q07001 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ GPR119 Q8TDV5 2/20 0.47
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ PDE4B Q07343 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ RARB P10826 1/20 0.38

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
SCHEMBL38658196 0.84 GPR119 (0.46) KDM4EGPR119MEN1KMT2ANPC1
SCHEMBL4404247 0.83 KDM4E (0.56) KDM4EGPR119MEN1KMT2ANR1H2
SCHEMBL29051731 0.83 KDM4E (0.53) CHRNB2CHRNA4KDM4EGPR119NR1H2
SCHEMBL7694165 0.81 CHRNB2 (0.61) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL29210008 0.81 DRD3 (0.53) KDM4EGPR119NPC1USP30PDE4B
SCHEMBL4409738 0.80 KDM4E (0.50) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL4417154 0.80 KDM4E (0.51) KDM4ENR1H2PDE4BMAPTTHRB
SCHEMBL29051883 0.79 MAPT (0.52) CHRNB4CHRNA3KDM4ENPC1NR1H2
SCHEMBL4410052 0.79 CHRNB2 (0.56) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL4408500 0.75 KDM4E (0.47) KDM4EGPR119NR1H2PDE4BMAPT

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 CHRNA1 375/4885CHRNG 1914/4885CHRNB1 665/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CHRNA1 397/4885CHRNG 2466/4885CHRNB1 814/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNA1 375/4885CHRNG 1914/4885CHRNB1 665/4885
US-20020111350-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNA1 375/4885CHRNG 1914/4885CHRNB1 665/4885
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS GRIN2C, GRIN2A, GRIN2B CHRNA1 517/4885CHRNG 1533/4885CHRNB1 894/4885
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds INTS6, CYP1B1, CYP1A2 CHRNA1 1631/4885CHRNG 1990/4885CHRNB1 1286/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNA1 375/4885CHRNG 1914/4885CHRNB1 665/4885

“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.