SCHEMBL747152

SCHEMBL747152

Cc1ccc(S(=O)(=O)OC23CCC(CC(Oc4ccc(Cl)nc4)C2)N3C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
FPR2 P25090 4/20 0.34
PROKR1 Q8TCW9 4/20 0.34
CHRM4 P08173 1/20 0.34
CHRNA3 P32297 2/20 0.33
HRH1 P35367 3/20 0.33
CCR3 P51677 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 2/20 0.33
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
KCNH2 Q12809 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL747150 0.73 CYP2D6 (0.44) NAAAFPR2PROKR1CHRM4CHRNA3
SCHEMBL747151 0.73 CYP2D6 (0.44) NAAAFPR2PROKR1CHRM4CHRNA3
SCHEMBL743792 0.73 CA12 (0.43) KCNH2
SCHEMBL30945186 0.67 CYP2D6 (0.36) FPR2PROKR1CHRM4CHRNA3HRH1
SCHEMBL1178220 0.66 SLC6A3 (0.40) FPR2PROKR1HRH1CCR3CYP2D6
SCHEMBL989888 0.66 SLC6A3 (0.58) CHRM4CHRNA3CHRNB1CHRNB2CHRNB4
SCHEMBL751133 0.66 SLC6A3 (0.58) CHRM4CHRNA3CHRNB1CHRNB2CHRNB4
SCHEMBL5043696 0.65 CHRNB2 (0.39) CHRM4CHRNA3CYP2D6CHRNB1CHRNB2
SCHEMBL928756 0.65 CHRNB4 (0.36) CHRNA3CYP2D6CHRNB2CHRNB4CHRNA4
SCHEMBL5041371 0.65 CHRNB4 (0.36) CHRNA3CYP2D6CHRNB2CHRNB4CHRNA4

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
EP-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP disclosed
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP disclosed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP disclosed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 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 (2 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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 NAAA 1880/4885FPR2 1670/4885PROKR1 2760/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 NAAA 1880/4885FPR2 1670/4885PROKR1 2760/4885

“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.