SCHEMBL5553083

SCHEMBL5553083

Cc1ccc(S(=O)(=O)OC23CNCC(C2)c2ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.41
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
VDR P11473 1/20 0.33
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL4852373 0.72 OPRM1 (0.46) HTR6ALDH1A1KMT2AVDRMEN1
SCHEMBL20476017 0.68 CYP2D6 (0.36) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL11253475 0.67 HTR2A (0.47) HTR6SLC6A2SLC6A3KCNH2ALDH1A1
SCHEMBL7751891 0.66 OPRM1 (0.41) HTR6ALDH1A1KMT2AVDRMEN1
SCHEMBL4829535 0.66 HTR6 (0.36) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4957688 0.63 CHRNB4 (0.56) HTR6ALDH1A1
SCHEMBL11253846 0.63 HTR6 (0.36) HTR6ALDH1A1KMT2AVDRKEAP1
SCHEMBL22392313 0.62 NPSR1 (0.39) ALDH1A1VDRNPSR1KEAP1NFE2L2
SCHEMBL22392314 0.62 ALDH1A1 (0.39) ALDH1A1KMT2AVDRMEN1
SCHEMBL8827430 0.62 CYP2D6 (0.38) HTR6ALDH1A1KMT2AVDR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1619192-A2 Aryl fused azapolycyclic compounds Pfizer Products Inc. (US) 2006-01-25 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
EP-1259489-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2002-11-27 EP 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 (1 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-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A HTR6 65/4885SLC6A2 329/4885SLC6A4 305/4885

“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.