SCHEMBL5367802

SCHEMBL5367802

O=C(NC1CC2CCN(C2)C1)n1cc(-c2ccccc2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.42
JAK1 P23458 2/20 0.37
JAK3 P52333 2/20 0.37
GRIN2B Q13224 1/20 0.36
USP30 Q70CQ3 3/20 0.36
PAX8 Q06710 2/20 0.36
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
SCN9A Q15858 1/20 0.35
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
KCNH2 Q12809 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL5367798 1.00 CHRNA7 (0.42) CHRNA7JAK1JAK3GRIN2BUSP30
SCHEMBL5387562 0.95 GRIN2B (0.37) CHRNA7JAK1JAK3GRIN2BUSP30
SCHEMBL5381869 0.88 CHRNA7 (0.47) CHRNA7JAK1JAK3SCN9AJAK2
SCHEMBL5371640 0.88 CHRNA7 (0.42) CHRNA7JAK1JAK3GRIN2BUSP30
SCHEMBL5371644 0.88 CHRNA7 (0.42) CHRNA7JAK1JAK3GRIN2BUSP30
SCHEMBL5381877 0.88 CHRNA7 (0.47) CHRNA7JAK1JAK3SCN9AJAK2
SCHEMBL5373089 0.86 CHRNA7 (0.46) CHRNA7JAK1JAK3USP30JAK2
SCHEMBL5373093 0.86 CHRNA7 (0.46) CHRNA7JAK1JAK3USP30JAK2
SCHEMBL5376692 0.86 CHRNA7 (0.40) CHRNA7JAK3USP30KCNH2
SCHEMBL5376687 0.86 CHRNA7 (0.40) CHRNA7JAK3USP30KCNH2

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 8/4885JAK1 769/4885JAK3 1573/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885JAK1 98/4885JAK3 360/4885

“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.