SCHEMBL7149209

SCHEMBL7149209

COc1cc(N2CCCC2)cnc1Cl

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.76
CHRNA4 P43681 11/20 0.76
PIK3CG P48736 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
TGFBR1 P36897 1/20 0.41
SUV39H2 Q9H5I1 2/20 0.40

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
SCHEMBL5657410 0.87 CHRNB2 (1.00) CHRNB2CHRNA4TGFBR1
SCHEMBL3065693 0.86 CHRNB2 (0.89) CHRNB2CHRNA4TGFBR1
SCHEMBL4828801 0.82 CHRNB2 (0.58) CHRNB2CHRNA4PIK3CGSUV39H2
SCHEMBL4828980 0.82 CHRNB2 (0.58) CHRNB2CHRNA4PIK3CGSUV39H2
SCHEMBL4824715 0.80 CHRNB2 (0.56) CHRNB2CHRNA4PIK3CGSUV39H2
SCHEMBL4822146 0.80 CHRNB2 (0.56) CHRNB2CHRNA4PIK3CGSUV39H2
SCHEMBL6351766 0.78 CHRNB2 (0.54) CHRNB2CHRNA4SMN1; SMN2SUV39H2
SCHEMBL5090919 0.77 CHRNB2 (0.50) CHRNB2CHRNA4PIK3CGALDH1A1
SCHEMBL25188188 0.77 CHRNB2 (0.52) CHRNB2CHRNA4ALDH1A1LMNATGFBR1
SCHEMBL29833760 0.77 CHRNB2 (0.52) CHRNB2CHRNA4ALDH1A1LMNATGFBR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500402-A 2003-01-07 JP claimed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP claimed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO claimed
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 US disclosed
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 EP disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 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 (1 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-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission GAP43, SLC18A2, GABRE CHRNB2 16/4885CHRNA4 12/4885PIK3CG 1057/4885

“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.