Sugi Predict

Sugi Predict / Compounds / SCHEMBL745038

SCHEMBL745038

SCHEMBL745038

Cc1ccc(S(=O)(=O)Oc2c[nH]c3ccc(-c4cnc(OC5CC6CCC(C5)N6C)cn4)cc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.37
▸ PIM3 Q86V86 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ HTR1D P28221 3/20 0.33
▸ HTR1B P28222 2/20 0.33
▸ TDO2 P48775 2/20 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
▸ CYP3A4 P08684 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

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 0.93 TDO2 (0.36) PIM1PIM3PIM2TDO2HTR3E
SCHEMBL744536 0.89 NAAA (0.37) PIM1PIM2HTR1DHTR1BHTR3E
SCHEMBL989031 0.88 PIM1 (0.36) PIM1PIM3PIM2HTR1DHTR1B
SCHEMBL748165 0.84 HTR6 (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL743794 0.78 CHRNA7 (0.42) CYP2D6CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL744608 0.77 CHRNA7 (0.42) CYP2D6CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL747739 0.74 PIK3CD (0.38) CYP2D6CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL748164 0.74 CHRNA7 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL743968 0.72 CHRNA7 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL2481429 0.72 CHRNA7 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIM1 3561/4885PIM3 3504/4885PIM2 2823/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 PIM1 3561/4885PIM3 3504/4885PIM2 2823/4885

“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.