SCHEMBL5954789

SCHEMBL5954789

C[C@H]1[C@H](NC(=O)n2ccc(-c3cccs3)c2)C2CCN1CC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HDAC1 Q13547 10/20 0.38
HDAC2 Q92769 10/20 0.38
HDAC3 O15379 9/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
DRD2 P14416 5/20 0.36
DRD4 P21917 5/20 0.36
HTR2A P28223 3/20 0.36
MCHR1 Q99705 1/20 0.34

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
SCHEMBL5955699 0.83 CHRNB2 (0.34) CHRNA7CHRNB2CHRNA4
SCHEMBL5955618 0.82 CHRNA7 (0.35) CHRNA7DRD2DRD4MCHR1
SCHEMBL5955682 0.82 HTR3E (0.40) CHRNA7HDAC1HDAC2HDAC3HTR3E
SCHEMBL5955014 0.81 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4HDAC1HDAC2
SCHEMBL5954750 0.80 EBP (0.36) MCHR1
SCHEMBL5954713 0.80 CHRNA7 (0.35) CHRNA7HDAC1HDAC2
SCHEMBL5955633 0.79 CHRNA7 (0.35) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL5955571 0.79 USP30 (0.35) CHRNA7CHRNB2CHRNA4HDAC1HDAC2
SCHEMBL5955552 0.79 CHRNA7 (0.35) CHRNA7CHRNB2CHRNA4
SCHEMBL5955547 0.79 FPR2 (0.35) CHRNA7CHRNB2CHRNA4HTR3A

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 8/4885CHRNB2 170/4885CHRNA4 85/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885CHRNB2 3958/4885CHRNA4 3568/4885

“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.