SCHEMBL5400969

SCHEMBL5400969

c1cc(Sc2ccc(NC3CN4CCC3CC4)cc2)ccc1NC1CN2CCC1CC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.55
HTR3A P46098 9/20 0.44
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
CNR2 P34972 1/20 0.40

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 SCHEMBL5649317 0.98 CHRNA7 (0.53) CHRNA7HTR3AGAASMN1; SMN2MEN1
SCHEMBL1542568 0.81 HTR3A (0.46) CHRNA7HTR3AGAASMN1; SMN2MEN1
SCHEMBL12005492 0.81 CHRNA7 (0.46) CHRNA7HTR3AGAASMN1; SMN2MEN1
SCHEMBL13444722 0.80 CHRNA7 (0.59) CHRNA7HTR3AGAA
SCHEMBL3928547 0.80 CHRNA7 (0.59) CHRNA7HTR3AGAA
Hydrochloric Acid SCHEMBL5649732 0.79 HTR3A (0.44) CHRNA7HTR3AGAASMN1; SMN2MEN1
SCHEMBL5407108 0.78 CHRNA7 (0.54) CHRNA7HTR3AGAAALOX15TSHR
SCHEMBL5404570 0.77 CHRNA7 (0.43) CHRNA7HTR3AGAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5652086 0.77 CHRNA7 (0.52) CHRNA7HTR3AGAASMN1; SMN2MEN1
SCHEMBL4961084 0.77 HTR3A (0.56) CHRNA7HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US claimed
JP-2007515486-A 2007-06-14 JP claimed
EP-1735305-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2006-12-27 EP claimed
WO-2005066167-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2005-07-21 WO claimed
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US claimed
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
EP-1735305-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2006-12-27 EP disclosed
WO-2005066167-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2005-07-21 WO disclosed
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl 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 (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-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA3, CHRNA1, CHRM3 CHRNA7 11/4885HTR3A 71/4885GAA 1774/4885

“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.