SCHEMBL5658712

SCHEMBL5658712

Clc1cc(N2CCCNCC2)cnc1I

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 16/20 0.70
CHRNA4 P43681 16/20 0.70
CHRNA1 P02708 1/20 0.58
CHRNA7 P36544 1/20 0.58
ADRB1 P08588 1/20 0.47

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
SCHEMBL3067537 0.85 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA1CHRNA7ADRB1
SCHEMBL5656700 0.82 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3061516 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5655652 0.82 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA1CHRNA7ADRB1
SCHEMBL5659012 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5658098 0.79 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5657690 0.79 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5660049 0.79 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3061027 0.79 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3068345 0.78 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA1CHRNA7ADRB1

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 9 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
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
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 12/4885CHRNA1 6/4885
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.