SCHEMBL5390776

SCHEMBL5390776

Cc1cccc(-c2ccn(C(=O)N[C@H]3CN4CCC3CC4)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.57
HTR3E A5X5Y0 5/20 0.46
HTR3B O95264 5/20 0.46
HTR3A P46098 5/20 0.46
HTR3D Q70Z44 5/20 0.46
HTR3C Q8WXA8 5/20 0.46

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
SCHEMBL5371878 0.87 CHRNA7 (0.50) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5386178 0.87 CHRM2 (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5382112 0.86 CHRM2 (0.47) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5375306 0.86 HTR3A (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5376399 0.86 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5954929 0.85 CHRNA7 (0.42) CHRNA7
SCHEMBL5368598 0.84 CHRNA7 (0.43) CHRNA7
SCHEMBL5380240 0.82 CHRNA7 (0.49) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5380368 0.81 CHRNA7 (0.53) CHRNA7
SCHEMBL5368337 0.81 CHRNA7 (0.45) CHRNA7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 8/4885HTR3E 1732/4885HTR3B 537/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885HTR3E 3531/4885HTR3B 2381/4885

“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.