SCHEMBL6098886

SCHEMBL6098886

O=C(N[C@H]1CN2CCC1CC2)c1ncc(Cl)cn1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.63
CHRNA7 P36544 3/20 0.63
TSHR P16473 2/20 0.63
HTR3E A5X5Y0 1/20 0.63
HTR3B O95264 1/20 0.63
ALOX15 P16050 1/20 0.63
HTR3D Q70Z44 1/20 0.63
HTR3C Q8WXA8 1/20 0.63
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL6098332 0.93 HTR3A (0.54) HTR3ACHRNA7TSHRHTR3EHTR3B
SCHEMBL6100582 0.84 HTR3A (0.54) HTR3ACHRNA7TSHRHTR3EHTR3B
SCHEMBL6097820 0.84 CHRNA7 (0.60) HTR3ACHRNA7TSHRHTR3EHTR3B
SCHEMBL6100390 0.84 CHRNA7 (0.67) HTR3ACHRNA7TSHRHTR3EHTR3B
SCHEMBL6099524 0.83 HTR3A (0.53) HTR3ACHRNA7TSHRHTR3EHTR3B
Hydrochloric Acid SCHEMBL6100700 0.83 CHRNA7 (0.66) HTR3ACHRNA7TSHRHTR3EHTR3B
SCHEMBL6100455 0.82 CHRNA7 (0.52) HTR3ACHRNA7TSHRHTR3EHTR3B
SCHEMBL6099861 0.82 HTR3A (0.52) HTR3ACHRNA7TSHRHTR3EHTR3B
SCHEMBL6099252 0.80 HTR3A (0.55) HTR3ACHRNA7TSHRHTR3EHTR3B
SCHEMBL6098313 0.80 CHRNA7 (0.51) HTR3ACHRNA7TSHRHTR3EHTR3B

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 1836/4885TSHR 1714/4885

“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.