SCHEMBL5382148

SCHEMBL5382148

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)n1cc(-c2cccc(F)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.43
CSNK1E P49674 4/20 0.40
CSNK1D P48730 3/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
GRIN2B Q13224 1/20 0.38
MAP4K4 O95819 2/20 0.37
HTR7 P34969 1/20 0.37
PAX8 Q06710 1/20 0.37
DYRK1A Q13627 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
SCHEMBL5382153 1.00 CHRNA7 (0.43) CHRNA7CSNK1ECSNK1DDRD2DRD4
SCHEMBL5375158 0.95 DRD2 (0.40) CHRNA7CSNK1ECSNK1DDRD2DRD4
SCHEMBL5373459 0.88 CHRNA7 (0.48) CHRNA7
SCHEMBL5376319 0.88 CHRNA7 (0.43) CHRNA7GRIN2B
SCHEMBL5373457 0.88 CHRNA7 (0.48) CHRNA7
SCHEMBL5376323 0.88 CHRNA7 (0.43) CHRNA7GRIN2B
SCHEMBL5382095 0.88 CHRNA7 (0.44) CHRNA7CSNK1EDRD2DRD4GRIN2B
SCHEMBL5382100 0.88 CHRNA7 (0.44) CHRNA7CSNK1EDRD2DRD4GRIN2B
SCHEMBL5373089 0.87 CHRNA7 (0.46) CHRNA7DRD2DRD4
SCHEMBL5373093 0.87 CHRNA7 (0.46) CHRNA7DRD2DRD4

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 8/4885CSNK1E 995/4885CSNK1D 604/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885CSNK1E 1928/4885CSNK1D 1525/4885

“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.