SCHEMBL5656931

SCHEMBL5656931

CCN1CCN(c2cncc(OC)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.60
CHRNA4 P43681 6/20 0.60
DRD2 P14416 2/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNB4 P30926 4/20 0.48
CHRNA3 P32297 4/20 0.48
KDM4E B2RXH2 2/20 0.47
GFER P55789 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAD52 P43351 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3452634 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5656336 0.84 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7KDM4EMAPT
SCHEMBL25124630 0.82 KDM2B (0.46) CHRNB2CHRNA4CHRNA7KDM4EGFER
SCHEMBL3453215 0.82 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5656751 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7167940 0.80 CHRNB2 (0.77) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25124646 0.79 CHRNA7 (0.49) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL8353109 0.78 DRD2 (0.75) DRD2CHRNA7KDM4EGFERHRH3
SCHEMBL20962640 0.78 ALDH1A1 (0.48) KDM4EGFERGAA
SCHEMBL14299555 0.78 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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
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 12/4885DRD2 500/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 10/4885CHRNA4 9/4885DRD2 464/4885

“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.