SCHEMBL5370516

SCHEMBL5370516

O=C(NC1CC2CCN(C2)C1)n1cc(-c2ccsc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.44
DRD2 P14416 5/20 0.37
DRD4 P21917 5/20 0.37
OPRK1 P41145 1/20 0.33
BRD2 P25440 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NTMT1 Q9BV86 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
CXCR3 P49682 1/20 0.32

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
SCHEMBL5370513 1.00 CHRNA7 (0.44) CHRNA7DRD2DRD4OPRK1BRD2
SCHEMBL5386234 0.95 CHRNA7 (0.38) CHRNA7DRD2DRD4OPRK1BRD2
SCHEMBL5373089 0.85 CHRNA7 (0.46) CHRNA7DRD2DRD4
SCHEMBL5373093 0.85 CHRNA7 (0.46) CHRNA7DRD2DRD4
SCHEMBL5368678 0.83 CHRNA7 (0.44) CHRNA7
SCHEMBL5382095 0.83 CHRNA7 (0.44) CHRNA7DRD2DRD4
SCHEMBL5382100 0.83 CHRNA7 (0.44) CHRNA7DRD2DRD4
SCHEMBL5368276 0.83 CHRNA7 (0.58) CHRNA7DRD2DRD4
SCHEMBL5368281 0.83 CHRNA7 (0.58) CHRNA7DRD2DRD4
SCHEMBL5368669 0.83 CHRNA7 (0.44) 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 8/4885DRD2 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.