Sugi Predict

Sugi Predict / Compounds / SCHEMBL4413078

SCHEMBL4413078

SCHEMBL4413078

OC1C2CC(c3cc(F)ccc32)C1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.47
▸ KDM1B Q8NB78 1/20 0.47
▸ CHRNB2 P17787 2/20 0.46
▸ CHRNB4 P30926 2/20 0.46
▸ CHRNA3 P32297 2/20 0.46
▸ CHRNA4 P43681 2/20 0.46
▸ HTR2C P28335 4/20 0.43
▸ HTR2A P28223 3/20 0.41
▸ HTR2B P41595 3/20 0.41
▸ SLC6A4 P31645 1/20 0.39
▸ CA3 P07451 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ CHRNA7 P36544 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
SCHEMBL7551115 0.88 KDM1A (0.39) KDM1AKDM1BCHRNB2CHRNB4CHRNA3
SCHEMBL27053456 0.77 CHRNB2 (0.44) CHRNB2CHRNA4HTR2CHTR2AHTR2B
SCHEMBL25795661 0.77 CHRNB2 (0.44) CHRNB2CHRNA4HTR2CHTR2AHTR2B
SCHEMBL3445878 0.74 HTR2C (0.66) KDM1AKDM1BCHRNB2CHRNB4CHRNA3
SCHEMBL24278585 0.74 CA2 (0.46) KDM1AKDM1BCHRNB4CHRNA3HTR2C
SCHEMBL1977397 0.74 CA2 (0.46) KDM1AKDM1BCHRNB4CHRNA3HTR2C
SCHEMBL3038872 0.74 CA2 (0.46) KDM1AKDM1BCHRNB4CHRNA3HTR2C
SCHEMBL14668118 0.74 CA2 (0.46) KDM1AKDM1BCHRNB4CHRNA3HTR2C
SCHEMBL25796805 0.74 CA2 (0.46) KDM1AKDM1BCHRNB4CHRNA3HTR2C
SCHEMBL27053504 0.74 CA2 (0.46) KDM1AKDM1BCHRNB4CHRNA3HTR2C

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 21 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-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-7144882-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-12-05 — — 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
EP-1619192-A2 Aryl fused azapolycyclic compounds Pfizer Products Inc. (US) 2006-01-25 — — EP disclosed
US-6951938-B2 Aryl fused azapolycyclic compounds PFIZER INC. (US) 2005-10-04 — — 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
EP-1259489-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2002-11-27 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 KDM1A 660/4885KDM1B 774/4885CHRNB2 255/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A KDM1A 576/4885KDM1B 612/4885CHRNB2 297/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B KDM1A 660/4885KDM1B 774/4885CHRNB2 255/4885
US-20020111350-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B KDM1A 660/4885KDM1B 774/4885CHRNB2 255/4885
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS GRIN2C, GRIN2A, GRIN2B KDM1A 1249/4885KDM1B 803/4885CHRNB2 221/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B KDM1A 660/4885KDM1B 774/4885CHRNB2 255/4885

“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.