SCHEMBL4404493

SCHEMBL4404493

FC(F)(F)c1cc2c(cc1Cl)C1CNCC2C1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.69
CHRNA4 P43681 14/20 0.69
CHRNB4 P30926 7/20 0.53
CHRNA3 P32297 7/20 0.53
CHRNA1 P02708 2/20 0.44
CHRNG P07510 2/20 0.44
CHRNB1 P11230 2/20 0.44
CHRND Q07001 2/20 0.44
ESR1 P03372 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA7 P36544 1/20 0.44
HTR3A P46098 1/20 0.44
CHRNA2 Q15822 1/20 0.44
HTR2C P28335 1/20 0.40

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
Hydrochloric Acid SCHEMBL4693025 0.98 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4606279 0.87 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4692003 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL4686206 0.81 CHRNB2 (0.95) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4406013 0.80 CHRNB2 (0.71) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL4685052 0.79 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL6356056 0.76 CHRNB2 (0.77) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4408234 0.75 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4406484 0.75 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL6356054 0.74 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1619192-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-12-30 EP claimed
US-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US claimed
US-7144882-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-12-05 US claimed
EP-1699488-A2 THERAPEUTIC COMBINATION FOR COGNITION ENHANCEMENT AND PSYCHOTIC DISORDERS Pfizer Products Incorporated (US) 2006-09-13 EP claimed
EP-1259489-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2006-06-07 EP claimed
EP-1619192-A2 Aryl fused azapolycyclic compounds Pfizer Products Inc. (US) 2006-01-25 EP claimed
US-20050215571-A1 Therapeutic combination for cognititon enhancement and psychotic disorders PFIZER INC. 2005-09-29 US claimed
WO-2005063296-A2 THERAPEUTIC COMBINATION FOR COGNITION ENHANCEMENT AND PSYCHOTIC DISORDERS PFIZER PRODUCTS INC. (US) 2005-07-14 WO claimed
US-6887884-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2005-05-03 US claimed
US-20030130260-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-07-10 US claimed
EP-1619192-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-12-30 EP disclosed
EP-1961737-A1 Indan-1,3-carbodinitrile dervatives Pfizer Products Inc. (US) 2008-08-27 EP disclosed
EP-1565421-B1 A METHOD FOR PREPARING INDAN-1,3-DICARBOXYLIC ACID PFIZER PROD INC (US) 2008-07-23 EP disclosed
US-7285686-B2 Process for the preparation of 1,3-substituted indenes PFIZER INC (US) 2007-10-23 US disclosed
US-20070185327-A1 Preparation of substituted quinoxalines PFIZER INC 2007-08-09 US disclosed
US-20050004379-A1 Process for the preparation of 1,3-substituted indenes PFIZER INC 2005-01-06 US disclosed
WO-2004048318-A1 IMPROVED PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES PFIZER PRODUCTS INC. (US) 2004-06-10 WO disclosed
WO-2004046077-A1 A METHOD FOR PREPARING INDAN-1,3-DICARBOXYLIC ACID PFIZER PRODUCTS INC. (US) 2004-06-03 WO 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

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

For each of this compound's patents that has machine-readable text (4 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-20050004379-A1 Process for the preparation of 1,3-substituted indenes NISCH, DHPS, INA CHRNB2 308/4885CHRNA4 274/4885CHRNB4 429/4885
US-20050215571-A1 Therapeutic combination for cognititon enhancement and psychotic disorders CHRNA3, CHRNA7, CHRNA2 CHRNB2 11/4885CHRNA4 6/4885CHRNB4 13/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CHRNB2 297/4885CHRNA4 236/4885CHRNB4 524/4885
US-20070185327-A1 Preparation of substituted quinoxalines QDPR, DDT, NQO2 CHRNB2 391/4885CHRNA4 206/4885CHRNB4 442/4885

“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.