Sugi Predict

Sugi Predict / Compounds / SCHEMBL4689632

SCHEMBL4689632

SCHEMBL4689632

O=C(N1CC2CC(C1)c1cc(Cl)c(Cl)cc12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ ESR1 P03372 4/20 0.40
▸ ESR2 Q92731 4/20 0.40
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ HPGDS O60760 1/20 0.33
▸ PROKR1 Q8TCW9 3/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ SPR P35270 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RBP4 P02753 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL4686593 0.85 CHRNB2 (0.46) CHRNB2CHRNA4ESR1ESR2PROKR1
SCHEMBL225186 0.84 ESR1 (0.37) ESR1ESR2HPGDSPROKR1KDM1A
SCHEMBL13561414 0.84 ESR1 (0.37) ESR1ESR2HPGDSPROKR1KDM1A
SCHEMBL29352110 0.84 ESR1 (0.37) ESR1ESR2HPGDSPROKR1KDM1A
SCHEMBL4406850 0.80 ESR1 (0.52) CHRNB2CHRNA4ESR1ESR2KDM1A
SCHEMBL13561413 0.80 ESR1 (0.45) CHRNB2CHRNA4ESR1ESR2HPGDS
SCHEMBL224375 0.80 ESR1 (0.45) CHRNB2CHRNA4ESR1ESR2HPGDS
SCHEMBL29349682 0.80 ESR1 (0.45) CHRNB2CHRNA4ESR1ESR2HPGDS
SCHEMBL1971200 0.80 RBP4 (0.43) ESR1ESR2HPGDSKDM1ARBP4
SCHEMBL13916013 0.80 RBP4 (0.43) ESR1ESR2HPGDSKDM1ARBP4

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-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-1659114-A2 PROCESS FOR THE PREPARATION OF BICYCLO[3.2.1]OCTANE FUSED WITH QUINAZOLINE DERIVATIVES Pfizer Products Inc. (US) 2006-05-24 — — EP 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 CHRNB2 255/4885CHRNA4 241/4885ESR1 3094/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CHRNB2 297/4885CHRNA4 236/4885ESR1 2825/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885ESR1 3094/4885
US-20020111350-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885ESR1 3094/4885
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS GRIN2C, GRIN2A, GRIN2B CHRNB2 221/4885CHRNA4 151/4885ESR1 1981/4885
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds INTS6, CYP1B1, CYP1A2 CHRNB2 1306/4885CHRNA4 1447/4885ESR1 2089/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885ESR1 3094/4885

“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.