SCHEMBL5367713

SCHEMBL5367713

O=C(N[C@H]1CN2CCC1CC2)n1cc(-c2cccnc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.44
HTR3A P46098 6/20 0.43
HTR3E A5X5Y0 5/20 0.43
HTR3B O95264 5/20 0.43
HTR3D Q70Z44 5/20 0.43
HTR3C Q8WXA8 5/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL5371799 0.89 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5376655 0.84 CYP11B1 (0.38) CHRNA7
SCHEMBL5955680 0.84 KDM4E (0.35) CHRNA7
SCHEMBL5373638 0.83 CHRM2 (0.49) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5373495 0.83 CHRNA7 (0.47) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5373239 0.83 CHRNA7 (0.56) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5380200 0.83 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5374984 0.82 CHRM3 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5391010 0.82 CHRNA7 (0.56) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5380217 0.82 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D

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 8 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
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 8/4885HTR3A 791/4885HTR3E 1732/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885HTR3A 2651/4885HTR3E 3531/4885

“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.