SCHEMBL6485802

SCHEMBL6485802

O=C(NC1CC2CNC1C2)c1ncc(Cl)s1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNA7 P36544 1/20 0.32
ALOX15 P16050 1/20 0.32
USP30 Q70CQ3 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL6499012 0.85 FPR3 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL6499195 0.85 SMYD3 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6486763 0.83 HDAC1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL6496164 0.81 HDAC1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6500752 0.80 USP30 (0.52) CHRNA7USP30
SCHEMBL6097461 0.79 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6491156 0.79 USP30 (0.41) USP30
SCHEMBL6488254 0.79 USP30 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL6501183 0.78 F10 (0.46)
SCHEMBL6501682 0.78 USP30 (0.43) USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 CHRNB2 1745/4885CHRNB4 1413/4885CHRNA3 1747/4885

“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.