SCHEMBL4404973

SCHEMBL4404973

Fc1ccc2c(c1)C1CC2CN(Cc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
FUCA1 P04066 2/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
CCR5 P51681 1/20 0.47
ACHE P22303 5/20 0.44
BACE1 P56817 5/20 0.44
BCHE P06276 4/20 0.44
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PAX8 Q06710 1/20 0.42

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
SCHEMBL13916012 0.84 FUCA1 (0.56) DRD2DRD3FUCA1ACHE
SCHEMBL1972330 0.84 FUCA1 (0.56) DRD2DRD3FUCA1ACHE
Hydrochloric Acid SCHEMBL4410761 0.82 FUCA1 (0.55) DRD2DRD3FUCA1ACHE
SCHEMBL5996694 0.81 CHRNB2 (0.49) DRD2DRD3FUCA1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL5997163 0.80 CHRNB2 (0.48) DRD2DRD3FUCA1CHRNB2CHRNB4
SCHEMBL147328 0.73 DPP4 (0.63) DRD2DRD3FUCA1CCR5ACHE
SCHEMBL1895840 0.73 DRD2 (0.53) DRD2DRD3FUCA1CCR5DPP4
SCHEMBL147329 0.73 DPP4 (0.63) DRD2DRD3FUCA1CCR5ACHE
SCHEMBL1896647 0.73 DRD2 (0.56) DRD2DRD3FUCA1CCR5ACHE
SCHEMBL1725958 0.73 DPP4 (0.63) DRD2DRD3FUCA1CCR5ACHE

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 17 patents. 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-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-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 (5 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 DRD2 27/4885DRD3 46/4885FUCA1 2280/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A DRD2 75/4885DRD3 82/4885FUCA1 2025/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B DRD2 27/4885DRD3 46/4885FUCA1 2280/4885
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS GRIN2C, GRIN2A, GRIN2B DRD2 19/4885DRD3 74/4885FUCA1 3531/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B DRD2 27/4885DRD3 46/4885FUCA1 2280/4885

“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.