SCHEMBL1449572

SCHEMBL1449572

COc1ccc(C#Cc2ccc(N3CC4CCCCC(C3)N4C)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.41
MCHR1 Q99705 1/20 0.40
GRM3 Q14832 5/20 0.37
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL1450676 0.86 GRM5 (0.44) GRM5
SCHEMBL1449611 0.86 GRM5 (0.55) GRM5
SCHEMBL1023811 0.81 GRM5 (0.41) GRM5
SCHEMBL1021484 0.81 GRM5 (0.54) GRM5
SCHEMBL1450614 0.80 GRM5 (0.39) GRM5
SCHEMBL1449412 0.79 CHRNA7 (0.46) HRH3
SCHEMBL1450755 0.78 GRM5 (0.45) GRM5
SCHEMBL1449643 0.77 CHRNA7 (0.46) GRM5
SCHEMBL2676801 0.76 CHRNA7 (0.46) HRH3
SCHEMBL2925485 0.75 CHRNA7 (0.48) GRM5MCHR1

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 2 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

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 GRM5 137/4885MCHR1 652/4885GRM3 100/4885

“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.