SCHEMBL5376319

SCHEMBL5376319

Cc1cccc(-c2cnn(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.43
GRIN2B Q13224 6/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
GFER P55789 1/20 0.36
TSHR P16473 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL5376323 1.00 CHRNA7 (0.43) CHRNA7GRIN2BIRAK4RXFP1GFER
SCHEMBL5368571 0.95 CHRNA7 (0.41) CHRNA7GRIN2BIRAK4RXFP1GFER
SCHEMBL5373459 0.88 CHRNA7 (0.48) CHRNA7IRAK4
SCHEMBL5373457 0.88 CHRNA7 (0.48) CHRNA7IRAK4
SCHEMBL5382153 0.88 CHRNA7 (0.43) CHRNA7GRIN2B
SCHEMBL5382148 0.88 CHRNA7 (0.43) CHRNA7GRIN2B
SCHEMBL5368678 0.88 CHRNA7 (0.44) CHRNA7GRIN2B
SCHEMBL5368669 0.88 CHRNA7 (0.44) CHRNA7GRIN2B
SCHEMBL5380392 0.87 CHRNA7 (0.43) CHRNA7GRIN2BTSHRJAK1JAK3
SCHEMBL5380396 0.87 CHRNA7 (0.43) CHRNA7GRIN2BTSHRJAK1JAK3

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 8/4885GRIN2B 290/4885IRAK4 1009/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885GRIN2B 741/4885IRAK4 2109/4885

“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.