SCHEMBL989031

SCHEMBL989031

Cc1ccc(S(=O)(=O)Oc2c[nH]c3ccc(-c4cnc(OC5CC6CCCCCCCCCCN(C)C(CC6)C5)cn4)cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
HTR1D P28221 4/20 0.35
HTR1B P28222 3/20 0.35
HTR6 P50406 1/20 0.33
TDO2 P48775 1/20 0.31
HTR1F P30939 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL745038 0.88 PIM1 (0.37) PIM1PIM3PIM2HTR1DHTR1B
SCHEMBL744536 0.78 NAAA (0.37) PIM1PIM2HTR1DHTR1B
SCHEMBL748165 0.73 HTR6 (0.35) HTR6
SCHEMBL743794 0.69 CHRNA7 (0.42) HTR6
SCHEMBL744608 0.69 CHRNA7 (0.42) HTR6
SCHEMBL1790915 0.68 KCNH2 (0.54) PIM1PIM2HTR1DHTR1BHRH3
SCHEMBL4114759 0.65 HTR1D (0.34) HTR1DHTR1BHTR1FHRH3
SCHEMBL748164 0.65 CHRNA7 (0.44)
SCHEMBL747739 0.65 PIK3CD (0.38)
SCHEMBL743968 0.62 CHRNA7 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 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 (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-20080045539-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.