Sugi Predict

Sugi Predict / Compounds / SCHEMBL1542694

SCHEMBL1542694

SCHEMBL1542694

Cc1n[nH]c2ccc(-c3ccc(NC4CN5CCC4CC5)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 11/20 0.46
▸ CHRNA7 P36544 7/20 0.46
▸ BRAF P15056 2/20 0.40
▸ JAK2 O60674 3/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ ROS1 P08922 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CLK2 P49760 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL1542509 0.90 CHRNA7 (0.48) HTR3ACHRNA7DYRK1A
SCHEMBL373145 0.79 CHRNA7 (0.50) CHRNA7JAK2DYRK1ACLK2
SCHEMBL6654660 0.76 CHRNA7 (0.62) HTR3ACHRNA7
SCHEMBL260465 0.73 CHRNA7 (0.77) HTR3ACHRNA7DYRK1ACLK2
SCHEMBL260445 0.73 CHRNA7 (0.77) HTR3ACHRNA7DYRK1ACLK2
SCHEMBL261115 0.73 CHRNA7 (0.77) HTR3ACHRNA7DYRK1ACLK2
SCHEMBL5404570 0.72 CHRNA7 (0.43) HTR3ACHRNA7BRAF
Trifluoroacetic Acid SCHEMBL1542298 0.71 PRKAG1 (0.43) HTR3ACHRNA7DYRK1ACLK2
SCHEMBL32670563 0.71 JAK2 (0.48) JAK2CDK2
SCHEMBL19188029 0.71 JAK2 (0.57) JAK2DYRK1ACDC7PLK4DAPK3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308875-A1 Fused bicycloheterocycle substituted quinuclidine derivatives as .alpha.7 nAChR modulators Abbott Laboratories (US) 2011-04-13 — — EP claimed
US-7674794-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-03-09 — — US claimed
EP-1824848-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2007-08-29 — — EP claimed
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2007-03-22 — — US claimed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 — — US claimed
US-7160876-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2007-01-09 — — US claimed
WO-2006065233-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2006-06-22 — — WO claimed
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators ABBOTT LABORATORIES 2005-11-03 — — US claimed
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2005-06-23 — — US claimed
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2005-06-23 — — US claimed
EP-2308875-A1 Fused bicycloheterocycle substituted quinuclidine derivatives as .alpha.7 nAChR modulators Abbott Laboratories (US) 2011-04-13 — — EP disclosed
US-7674794-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-03-09 — — US disclosed
US-7655657-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-02-02 — — US disclosed
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 — — US disclosed
EP-1896469-A2 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2008-03-12 — — EP disclosed
US-7160876-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2007-01-09 — — US disclosed
WO-2006065233-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2006-06-22 — — WO disclosed
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators ABBOTT LABORATORIES 2005-11-03 — — US disclosed
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2005-06-23 — — US disclosed
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2005-06-23 — — 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 (6 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-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 HTR3A 138/4885CHRNA7 2/4885BRAF 4728/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C HTR3A 5/4885CHRNA7 144/4885BRAF 2962/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 HTR3A 138/4885CHRNA7 2/4885BRAF 4728/4885
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 HTR3A 134/4885CHRNA7 2/4885BRAF 4596/4885
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 HTR3A 134/4885CHRNA7 2/4885BRAF 4596/4885
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators CHRNA7, CHRNA6, CHRNA10 HTR3A 39/4885CHRNA7 1/4885BRAF 4745/4885

“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.