SCHEMBL5954741

SCHEMBL5954741

CC1CC2CCN1C[C@@H]2NC(=O)n1cc(-c2ccsc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
BRD2 P25440 1/20 0.36
OPRK1 P41145 1/20 0.35
DRD2 P14416 5/20 0.33
DRD4 P21917 5/20 0.33
NTMT1 Q9BV86 1/20 0.33
CXCR3 P49682 1/20 0.32
NR4A2 P43354 1/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
HRH4 Q9H3N8 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 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
SCHEMBL5955684 0.86 CHRNA7 (0.38) CHRNA7BRD2
SCHEMBL5954836 0.85 USP30 (0.34) CHRNA7BRD2GSK3BDYRK1A
SCHEMBL5955643 0.84 USP30 (0.36) BRD2DRD2DRD4NTMT1GSK3B
SCHEMBL5955644 0.84 HTR3E (0.38) CHRNA7BRD2
SCHEMBL5387992 0.84 CHRNA7 (0.52) CHRNA7
SCHEMBL5954720 0.84 CHRNA7 (0.39) CHRNA7BRD2DRD2DRD4
SCHEMBL5955673 0.83 CCNA2 (0.39) CHRNA7BRD2
SCHEMBL5955680 0.83 KDM4E (0.35) CHRNA7NR4A2
SCHEMBL5954708 0.82 CHRNA7 (0.38) CHRNA7BRD2OPRK1DRD2DRD4
SCHEMBL5954831 0.82 BRD2 (0.35) CHRNA7BRD2OPRK1DRD2DRD4

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 4 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

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 8/4885BRD2 2405/4885OPRK1 1138/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885BRD2 1374/4885OPRK1 2714/4885

“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.