SCHEMBL5658618

SCHEMBL5658618

C=COc1cc(N2CCCNCC2)cnc1I

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 18/20 0.74
CHRNA4 P43681 18/20 0.74
CHRNA1 P02708 1/20 0.45
CHRNA7 P36544 1/20 0.45

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
SCHEMBL5658593 0.85 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5657723 0.85 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5656194 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3061027 0.83 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5657098 0.81 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5658098 0.81 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5658776 0.79 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3071325 0.77 CHRNB2 (0.69) CHRNB2CHRNA4
SCHEMBL5658712 0.76 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5656700 0.76 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282494-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2007-10-16 US claimed
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US claimed
JP-2002543070-A 2002-12-17 JP claimed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP claimed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 WO claimed
US-7282494-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2007-10-16 US disclosed
US-7064118-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-20 US disclosed
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US disclosed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP disclosed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 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-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 10/4885CHRNA4 9/4885CHRNA1 6/4885

“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.