Sugi Predict

Sugi Predict / Compounds / SCHEMBL748165

SCHEMBL748165

SCHEMBL748165

Cc1ccc(S(=O)(=O)Oc2c[nH]c3cccc(-c4cnc(OC5CC6CCC(C5)N6C)cn4)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.35
▸ CYP3A4 P08684 3/20 0.33
▸ HTR3E A5X5Y0 2/20 0.33
▸ HTR3B O95264 2/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ HTR3D Q70Z44 2/20 0.33
▸ HTR3C Q8WXA8 2/20 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
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CHRNB4 P30926 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
SCHEMBL744609 0.84 TDO2 (0.36) HTR6CYP3A4HTR3EHTR3BHTR3A
SCHEMBL745038 0.84 PIM1 (0.37) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL748164 0.79 CHRNA7 (0.44) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL744536 0.74 NAAA (0.37) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL989031 0.73 PIM1 (0.36) HTR6
SCHEMBL746279 0.73 CHRNA7 (0.54) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL744608 0.71 CHRNA7 (0.42) HTR6CYP2D6CHRNB2CHRNB4CHRNA3
SCHEMBL743794 0.70 CHRNA7 (0.42) HTR6CYP2D6CHRNB2CHRNB4CHRNA3
SCHEMBL747739 0.69 PIK3CD (0.38) CYP2D6CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4103756 0.69 HTR6 (0.32) HTR6KCNH2ALDH1A1

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 HTR6 1602/4885CYP3A4 223/4885HTR3E 2605/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 HTR6 1602/4885CYP3A4 223/4885HTR3E 2605/4885

“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.