SCHEMBL5658713

SCHEMBL5658713

CCCCCOc1cncc(N2CCNCC2)c1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.67
CHRNA4 P43681 8/20 0.67

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
SCHEMBL3453401 0.96 CHRNB2 (0.69) CHRNB2CHRNA4
SCHEMBL5655458 0.95 CHRNB2 (0.76) CHRNB2CHRNA4
SCHEMBL6360055 0.94 CHRNB2 (0.74) CHRNB2CHRNA4
SCHEMBL6350361 0.94 CHRNB2 (0.74) CHRNB2CHRNA4
SCHEMBL6351784 0.91 CHRNB2 (0.78) CHRNB2CHRNA4
SCHEMBL5655217 0.88 CHRNB2 (0.73) CHRNB2CHRNA4
SCHEMBL6351536 0.87 CHRNB2 (0.80) CHRNB2CHRNA4
SCHEMBL3453466 0.86 CHRNB2 (0.66) CHRNB2CHRNA4
Fumaric Acid SCHEMBL27472488 0.86 CHRNB2 (0.57) CHRNB2CHRNA4
SCHEMBL5657195 0.85 CHRNB2 (0.49) CHRNB2CHRNA4

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-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-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 US 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
US-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2002-04-18 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 (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-20020045618-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 7/4885CHRNA4 12/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 10/4885CHRNA4 9/4885

“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.