SCHEMBL5368598

SCHEMBL5368598

Cc1cccc(-c2ccn(C(=O)NC3CC4CCN(CC4)C3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.43
GFER P55789 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GRIN2B Q13224 4/20 0.37
KMT2A Q03164 1/20 0.36
CHRM3 P20309 2/20 0.36
USP2 O75604 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NOTUM Q6P988 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
SCHEMBL5368337 0.95 CHRNA7 (0.45) CHRNA7GFERALDH1A1GRIN2BKMT2A
SCHEMBL5368333 0.95 CHRNA7 (0.45) CHRNA7GFERALDH1A1GRIN2BKMT2A
SCHEMBL5376300 0.87 DRD2 (0.41) CHRNA7GRIN2BCHRM3
SCHEMBL5373397 0.87 CHRNA7 (0.43) CHRNA7KMT2ACHRM3RXFP1NOTUM
SCHEMBL5373553 0.87 CHRNA7 (0.39) CHRNA7ALDH1A1GRIN2BUSP2
SCHEMBL5390765 0.87 CHRNB2 (0.42) CHRNA7ALDH1A1KMT2A
SCHEMBL5368240 0.87 CHRNA7 (0.41) CHRNA7KMT2A
SCHEMBL5390776 0.84 CHRNA7 (0.57) CHRNA7
SCHEMBL5369869 0.83 CHRNA7 (0.42) CHRNA7GFERALDH1A1KMT2A
SCHEMBL5376855 0.82 CHRNA7 (0.50) CHRNA7KMT2ACHRM3NOTUM

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 8/4885GFER 4434/4885ALDH1A1 426/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885GFER 3779/4885ALDH1A1 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.