SCHEMBL5378687

SCHEMBL5378687

CSc1ccn(C(=O)NC2CC3CCN(C3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.47
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
SIGMAR1 Q99720 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5378683 1.00 CHRNA7 (0.47) CHRNA7DRD2DRD4SIGMAR1ALDH1A1
SCHEMBL5390768 0.94 CHRNA7 (0.40) CHRNA7DRD2DRD4SIGMAR1ALDH1A1
SCHEMBL5376295 0.84 CHRNA7 (0.50) CHRNA7ALDH1A1
SCHEMBL5376290 0.84 CHRNA7 (0.50) CHRNA7ALDH1A1
SCHEMBL5386268 0.81 CHRNA7 (0.50) CHRNA7SMN1; SMN2
SCHEMBL5371629 0.81 CHRNA7 (0.50) CHRNA7SMN1; SMN2
SCHEMBL5371623 0.81 CHRNA7 (0.50) CHRNA7SMN1; SMN2
SCHEMBL5390775 0.81 CHRNA7 (0.60) CHRNA7ALDH1A1SMN1; SMN2
SCHEMBL5386271 0.81 CHRNA7 (0.50) CHRNA7SMN1; SMN2
SCHEMBL5390781 0.81 CHRNA7 (0.60) CHRNA7ALDH1A1SMN1; SMN2

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
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 CHRNA7 8/4885DRD2 4113/4885DRD4 4116/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885DRD2 3963/4885DRD4 3917/4885

“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.