SCHEMBL5380306

SCHEMBL5380306

O=C(NC1CC2CCN(C2)C1)n1cc(-c2ccccn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.42
USP30 Q70CQ3 6/20 0.41
KDM4E B2RXH2 2/20 0.37
CYP46A1 Q9Y6A2 1/20 0.36

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
SCHEMBL5380303 1.00 CHRNA7 (0.42) CHRNA7USP30KDM4ECYP46A1
SCHEMBL5376829 0.95 USP30 (0.41) CHRNA7USP30KDM4ECYP46A1
SCHEMBL5373093 0.86 CHRNA7 (0.46) CHRNA7USP30CYP46A1
SCHEMBL5373089 0.86 CHRNA7 (0.46) CHRNA7USP30CYP46A1
SCHEMBL5376824 0.82 CHRNA7 (0.42) CHRNA7USP30CYP46A1
SCHEMBL5376432 0.82 CHRNA7 (0.48) CHRNA7USP30CYP46A1
SCHEMBL5376433 0.82 CHRNA7 (0.48) CHRNA7USP30CYP46A1
SCHEMBL5376826 0.82 CHRNA7 (0.42) CHRNA7USP30CYP46A1
SCHEMBL5371640 0.82 CHRNA7 (0.42) CHRNA7USP30
SCHEMBL5381877 0.82 CHRNA7 (0.47) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US claimed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US claimed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US claimed
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US disclosed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US disclosed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 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 (2 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-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 CHRNA7 8/4885USP30 4247/4885KDM4E 1907/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885USP30 4397/4885KDM4E 2506/4885

“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.