SCHEMBL1782928

SCHEMBL1782928

Nc1cnc(N2CCN3CCC2C3)nc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FURIN P09958 1/20 0.35
HTR3A P46098 5/20 0.33
CHRNA7 P36544 5/20 0.33
KCNH2 Q12809 4/20 0.33

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
SCHEMBL242574 0.90 CHRNA7 (0.40) HTR3ACHRNA7KCNH2
Hydrochloric Acid SCHEMBL3756715 0.88 CHRNA7 (0.40) HTR3ACHRNA7KCNH2
SCHEMBL503793 0.72 CHRNA7 (0.40) HTR3ACHRNA7KCNH2
SCHEMBL235246 0.72 HTR3A (0.52) HTR3ACHRNA7KCNH2
SCHEMBL504169 0.72 HTR3A (0.52) HTR3ACHRNA7KCNH2
SCHEMBL6229642 0.70 CHRNA7 (0.37) HTR3ACHRNA7KCNH2
SCHEMBL1783138 0.70 ALKBH1 (0.48) KCNH2
SCHEMBL5109993 0.69 CHRNB2 (0.44) HTR3ACHRNA7KCNH2
SCHEMBL5112722 0.69 CHRM2 (0.39) CHRNA7
SCHEMBL3247883 0.69 GRIN2D (0.40) HTR3ACHRNA7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-05-19 US disclosed
EP-2262810-A2 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch A/S (DK) 2010-12-22 EP disclosed
WO-2009112462-A2 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2009-09-17 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-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA6, CHRNA2, CHRNA10 FURIN 4718/4885HTR3A 69/4885CHRNA7 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.