SCHEMBL5380074

SCHEMBL5380074

Cc1ccc(-c2ccn(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.46
MCHR1 Q99705 3/20 0.35
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
USP2 O75604 2/20 0.33
MAPK1 P28482 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL5380079 1.00 CHRNA7 (0.46) CHRNA7MCHR1ALDH1A1KDM4EMAPT
SCHEMBL5373553 0.94 CHRNA7 (0.39) CHRNA7MCHR1ALDH1A1KDM4EMAPT
SCHEMBL5369893 0.89 CHRNA7 (0.60) CHRNA7ALDH1A1
SCHEMBL5369897 0.89 CHRNA7 (0.60) CHRNA7ALDH1A1
SCHEMBL5367722 0.89 CHRNA7 (0.46) CHRNA7MCHR1ALDH1A1CNR1CNR2
SCHEMBL5367717 0.89 CHRNA7 (0.46) CHRNA7MCHR1ALDH1A1CNR1CNR2
SCHEMBL5368681 0.88 CHRNA7 (0.47) CHRNA7
SCHEMBL5368688 0.88 CHRNA7 (0.47) CHRNA7
SCHEMBL5376975 0.88 CHRNA7 (0.43) CHRNA7MCHR1ALDH1A1MAPTHRH3
SCHEMBL5376969 0.88 CHRNA7 (0.43) CHRNA7MCHR1ALDH1A1MAPTHRH3

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 8/4885MCHR1 2150/4885ALDH1A1 426/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885MCHR1 2182/4885ALDH1A1 112/4885

“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.