SCHEMBL5654646

SCHEMBL5654646

Brc1cncc(N2CCCNCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 1.00
CHRNA4 P43681 14/20 1.00
CHRNA1 P02708 1/20 0.62
CHRNA7 P36544 1/20 0.62

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
SCHEMBL3067510 0.97 CHRNB2 (0.94) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL30066253 0.89 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3067811 0.89 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA1CHRNA7
Fumaric Acid SCHEMBL27576931 0.87 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL2067959 0.87 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL30665753 0.87 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL1980777 0.87 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3361367 0.85 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL30665760 0.85 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6094605 0.84 CHRNB2 (0.78) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US claimed
CN-1348449-A Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2002-05-08 CN 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
CN-1348449-A Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2002-05-08 CN 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.