Sugi Predict

Sugi Predict / Compounds / SCHEMBL744536

SCHEMBL744536

SCHEMBL744536

Cc1ccc(S(=O)(=O)Oc2c[nH]c3ccc(-c4ccc(OC5CC6CCC(C5)N6C)cn4)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.37
▸ CHRNA7 P36544 2/20 0.36
▸ MAPT P10636 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ TTK P33981 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ CHRNA1 P02708 1/20 0.33
▸ CHRNG P07510 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CHRM5 P08912 1/20 0.33

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
SCHEMBL745038 0.89 PIM1 (0.37) NAAACHRNA7MAPTCYP3A4SMN1; SMN2
SCHEMBL744609 0.82 TDO2 (0.36) NAAACHRNA7MAPTCYP3A4SMN1; SMN2
SCHEMBL744535 0.78 CHRNA7 (0.41) NAAACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL989031 0.78 PIM1 (0.36) HTR1DHTR1BPIM1PIM2
SCHEMBL1790915 0.75 KCNH2 (0.54) CHRNA7HTR1DHTR1BCHRNB2CHRNA4
SCHEMBL748165 0.74 HTR6 (0.35) NAAACHRNA7MAPTCYP3A4SMN1; SMN2
SCHEMBL743836 0.73 PIK3CD (0.38) NAAACHRNA7CYP2D6MTOR
SCHEMBL2484827 0.72 CHRNA7 (0.49) CHRNA7SLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL2484828 0.72 CHRNA7 (0.49) CHRNA7SLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL744341 0.72 CHRNA7 (0.49) CHRNA7SLC6A2SLC6A3CHRNB2CHRNB4

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 1880/4885CHRNA7 2776/4885MAPT 3978/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 NAAA 1880/4885CHRNA7 2776/4885MAPT 3978/4885

“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.