SCHEMBL5367835

SCHEMBL5367835

COc1ccc(-c2cnn(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.42
MAPKAPK2 P49137 1/20 0.40
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
MAPT P10636 2/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NAAA Q02083 1/20 0.36
CSNK1E P49674 1/20 0.36
PAX8 Q06710 1/20 0.36
BTK Q06187 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
SCHEMBL5367840 1.00 CHRNA7 (0.42) CHRNA7MAPKAPK2CCNA2CDK2CHRNB2
SCHEMBL5376683 0.95 CCNA2 (0.39) CHRNA7MAPKAPK2CCNA2CDK2CHRNB2
SCHEMBL5368669 0.89 CHRNA7 (0.44) CHRNA7MCHR1
SCHEMBL5368678 0.89 CHRNA7 (0.44) CHRNA7MCHR1
SCHEMBL5380396 0.88 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4SMN1; SMN2NAAA
SCHEMBL5380392 0.88 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4SMN1; SMN2NAAA
SCHEMBL5368281 0.86 CHRNA7 (0.58) CHRNA7SMN1; SMN2
SCHEMBL5382100 0.86 CHRNA7 (0.44) CHRNA7MCHR1CSNK1EPAX8
SCHEMBL5382095 0.86 CHRNA7 (0.44) CHRNA7MCHR1CSNK1EPAX8
SCHEMBL5368276 0.86 CHRNA7 (0.58) CHRNA7SMN1; SMN2

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 8/4885MAPKAPK2 3640/4885CCNA2 3183/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885MAPKAPK2 4429/4885CCNA2 1509/4885

“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.