SCHEMBL1450231

SCHEMBL1450231

CN1C2CCCCC1CN(c1ccc(I)nn1)C2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA7 P36544 2/20 0.35
HTR3A P46098 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
CHRM4 P08173 1/20 0.31
CDK4 P11802 1/20 0.31
CDK6 Q00534 1/20 0.31

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
SCHEMBL6624541 0.88 OGA (0.37) OGACHRNB2CHRNA4KMT2ACHRNB4
SCHEMBL6626343 0.85 OGA (0.38) OGACHRNB2CHRNA4KMT2AHTR3A
SCHEMBL3566046 0.78 CHRNB2 (0.36) CHRNB2CHRNA4KMT2ACHRNA7HTR3A
SCHEMBL3574996 0.78 CHRNB2 (0.56) CHRNB2CHRNA4KMT2ACHRNB4CHRNA3
SCHEMBL1449402 0.77 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL1023396 0.74 CHRNB2 (0.37) CHRNB2CHRNA4KMT2ACHRNA7HTR3A
SCHEMBL3564137 0.74 HTR1A (0.34) HRH3
SCHEMBL2676639 0.74 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL20255468 0.73 HRH3 (0.49) OGAHRH3
SCHEMBL1449966 0.73 CHRNA7 (0.43) CHRNA7HTR3ACHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910578-B2 8,10-diaza-bicyclo[4.3.1]decane derivatives and their medical use NEUROSEARCH A/S (DK) 2011-03-22 US disclosed
US-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE ANIONA APS (DK) 2009-04-16 US disclosed
EP-2029607-A1 NOVEL 8,10-DIAZA-BICYCLOÝ4.3.1¨DECANE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2009-03-04 EP disclosed
WO-2007135121-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-11-29 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-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE CHRNA10, CHRNA7, CHRNA3 OGA 1608/4885CHRNB2 8/4885CHRNA4 7/4885

“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.