SCHEMBL5367717

SCHEMBL5367717

O=C(NC1CC2CCN(C2)C1)n1ccc(-c2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.46
PAX8 Q06710 1/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MCHR1 Q99705 1/20 0.34
CSNK1E P49674 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CHRM3 P20309 1/20 0.33
GRIN2B Q13224 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 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
SCHEMBL5367722 1.00 CHRNA7 (0.46) CHRNA7PAX8DRD2DRD4POLB
SCHEMBL5367704 0.94 PAX8 (0.41) CHRNA7PAX8DRD2DRD4POLB
SCHEMBL5380074 0.89 CHRNA7 (0.46) CHRNA7ALDH1A1MCHR1CNR1CNR2
SCHEMBL5380079 0.89 CHRNA7 (0.46) CHRNA7ALDH1A1MCHR1CNR1CNR2
SCHEMBL5369893 0.89 CHRNA7 (0.60) CHRNA7DRD2DRD4ALDH1A1
SCHEMBL5369897 0.89 CHRNA7 (0.60) CHRNA7DRD2DRD4ALDH1A1
SCHEMBL5368681 0.88 CHRNA7 (0.47) CHRNA7DRD2DRD4CTSBCTSK
SCHEMBL5368688 0.88 CHRNA7 (0.47) CHRNA7DRD2DRD4CTSBCTSK
SCHEMBL5376762 0.87 CHRNA7 (0.45) CHRNA7DRD2DRD4CSNK1EGRIN2B
SCHEMBL5376764 0.87 CHRNA7 (0.45) CHRNA7DRD2DRD4CSNK1EGRIN2B

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 10 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
EP-1542999-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY Pharmacia & Upjohn Company LLC (US) 2005-06-22 EP 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
WO-2004013137-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-12 WO 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
EP-1542999-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY Pharmacia & Upjohn Company LLC (US) 2005-06-22 EP 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
WO-2004013137-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-12 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 (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 8/4885PAX8 1226/4885DRD2 4113/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885PAX8 1771/4885DRD2 3963/4885

“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.