SCHEMBL504169

SCHEMBL504169

Clc1cnc(N2CCN3CCC2CC3)nc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.52
CHRNA7 P36544 6/20 0.52
KCNH2 Q12809 5/20 0.52
ATR Q13535 1/20 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
Fumaric Acid SCHEMBL503796 0.87 KCNH2 (0.43) HTR3ACHRNA7KCNH2ATR
SCHEMBL242574 0.82 CHRNA7 (0.40) HTR3ACHRNA7KCNH2
SCHEMBL235246 0.82 HTR3A (0.52) HTR3ACHRNA7KCNH2
SCHEMBL503793 0.82 CHRNA7 (0.40) HTR3ACHRNA7KCNH2
Hydrochloric Acid SCHEMBL3756715 0.81 CHRNA7 (0.40) HTR3ACHRNA7KCNH2
SCHEMBL244511 0.76 MAPT (0.40) HTR3ACHRNA7KCNH2
SCHEMBL4084213 0.75 KCNQ3 (0.49) HTR3ACHRNA7
Hydrochloric Acid SCHEMBL4086359 0.74 KCNQ3 (0.48) HTR3ACHRNA7
SCHEMBL5110025 0.73 CHRNA7 (0.45) HTR3ACHRNA7KCNH2
SCHEMBL1782928 0.72 FURIN (0.35) 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-20120028967-A1 NOVEL DIAZA-BICYCLONONYL-PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-02-02 US claimed
US-20120028967-A1 NOVEL DIAZA-BICYCLONONYL-PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-02-02 US disclosed
WO-2010084121-A1 NOVEL DIAZA-BICYCLONONYL-PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-07-29 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-20120028967-A1 NOVEL DIAZA-BICYCLONONYL-PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE CHRNA5, CHRNA6, CHRNA3 HTR3A 104/4885CHRNA7 6/4885KCNH2 801/4885

“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.