SCHEMBL5368615

SCHEMBL5368615

O=C(N[C@H]1CN2CCC1CC2)n1ccc(-c2ccc(F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.49
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
NTMT1 Q9BV86 1/20 0.46
CHRNA7 P36544 9/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL6214176 0.88 CHRNA7 (0.58) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL5375134 0.88 CHRNA7 (0.58) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL5382112 0.88 CHRM2 (0.47) CHRM3CHRM2CHRM1CHRNA7HTR3E
SCHEMBL5376399 0.88 CHRNA7 (0.55) CHRM3CHRM2CHRM1CHRNA7HTR3E
SCHEMBL5386178 0.86 CHRM2 (0.51) CHRM3CHRM2CHRM1CHRNA7HTR3E
SCHEMBL5367738 0.85 ALDH1A1 (0.46) CHRM3CHRM2CHRM1CHRNA7ALOX15
SCHEMBL5380214 0.83 CHRNA7 (0.50) CHRM3CHRM2CHRM1CHRNA7ALOX15
SCHEMBL5955622 0.82 CHRM3 (0.35) CHRM3CHRM2CHRM1NTMT1CHRNA7
SCHEMBL5367704 0.82 PAX8 (0.41) CHRM3CHRNA7
SCHEMBL5377026 0.81 CHRNA7 (0.53) CHRM3CHRM2CHRM1CHRNA7HTR3E

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
EP-1542999-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY Pharmacia & Upjohn Company LLC (US) 2005-06-22 EP 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
WO-2004013137-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-12 WO 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 CHRM3 300/4885CHRM2 267/4885CHRM1 69/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRM3 3960/4885CHRM2 2637/4885CHRM1 1287/4885

“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.