SCHEMBL1542568

SCHEMBL1542568

Ic1ccc(NC2CN3CCC2CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 13/20 0.46
CHRNA7 P36544 11/20 0.46
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
Hydrochloric Acid SCHEMBL5649732 0.98 HTR3A (0.44) HTR3ACHRNA7GAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5298314 0.85 KAT2B (0.38) HTR3ACHRNA7GAASMN1; SMN2MEN1
SCHEMBL12005492 0.82 CHRNA7 (0.46) HTR3ACHRNA7GAASMN1; SMN2MEN1
SCHEMBL3928547 0.81 CHRNA7 (0.59) HTR3ACHRNA7GAA
SCHEMBL13444722 0.81 CHRNA7 (0.59) HTR3ACHRNA7GAA
SCHEMBL5400969 0.81 CHRNA7 (0.55) HTR3ACHRNA7GAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5649317 0.79 CHRNA7 (0.53) HTR3ACHRNA7GAASMN1; SMN2MEN1
SCHEMBL5407108 0.79 CHRNA7 (0.54) HTR3ACHRNA7GAAALOX15TSHR
SCHEMBL5404570 0.78 CHRNA7 (0.43) HTR3ACHRNA7GAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5652086 0.78 CHRNA7 (0.52) HTR3ACHRNA7GAASMN1; SMN2MEN1

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 13 patents. 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 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
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2007-03-22 US disclosed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 US disclosed
US-7160876-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2007-01-09 US 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-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050137398-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2005-06-23 US disclosed
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 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 (8 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 2/4885GAA 1807/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C HTR3A 5/4885CHRNA7 144/4885GAA 4490/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 HTR3A 138/4885CHRNA7 2/4885GAA 1807/4885
US-20050137398-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA1, CHRNA2, CHRM2 HTR3A 194/4885CHRNA7 8/4885GAA 1733/4885
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA3, CHRNA1, CHRM3 HTR3A 71/4885CHRNA7 11/4885GAA 1774/4885
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 HTR3A 134/4885CHRNA7 2/4885GAA 1752/4885
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 HTR3A 134/4885CHRNA7 2/4885GAA 1752/4885
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 1/4885GAA 1715/4885

“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.