SCHEMBL6098306

SCHEMBL6098306

O=C(N[C@H]1CN2CCC1CC2)c1cnc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.74
CHRNA7 P36544 12/20 0.64
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
HTR3E A5X5Y0 4/20 0.56
HTR3B O95264 4/20 0.56
HTR3D Q70Z44 4/20 0.56
HTR3C Q8WXA8 4/20 0.56
HPGDS O60760 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54

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 SCHEMBL6100277 0.99 HTR3A (0.72) HTR3ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL6101321 0.94 HTR3A (0.66) HTR3ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL1459284 0.85 HTR3A (1.00) HTR3ACHRNA7CHRNB4CHRNA3HTR3E
SCHEMBL1459693 0.85 HTR3A (1.00) HTR3ACHRNA7CHRNB4CHRNA3HTR3E
Hydrochloric Acid SCHEMBL4938323 0.84 HTR3A (0.98) HTR3ACHRNA7CHRNB4CHRNA3HTR3E
Hydrochloric Acid SCHEMBL4943294 0.84 HTR3A (0.98) HTR3ACHRNA7CHRNB4CHRNA3HTR3E
SCHEMBL6099360 0.83 HPGDS (0.59) HTR3ACHRNA7CHRNB2CHRNA4HPGDS
SCHEMBL5917821 0.82 CHRNA7 (0.71) HTR3ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL1459347 0.81 CHRNA7 (0.70) HTR3ACHRNA7CHRNB4CHRNA3HTR3E
SCHEMBL6006363 0.81 CHRNA7 (0.65) HTR3ACHRNA7CHRNB4CHRNA3HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 HTR3A 3325/4885CHRNA7 1836/4885CHRNB2 2627/4885

“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.