SCHEMBL1977792

SCHEMBL1977792

c1cc2cc(-c3ccc(N4CC5CCCC(C4)N5)nn3)ccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.67
KCNH2 Q12809 7/20 0.54
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
HTR3A P46098 1/20 0.43
MTOR P42345 1/20 0.39
CSNK1D P48730 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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 SCHEMBL1980160 0.91 CHRNA7 (0.57) CHRNA7KCNH2CHRNB2CHRNA4HTR3A
SCHEMBL1397905 0.84 CHRNA7 (0.71) CHRNA7KCNH2CHRNB2CHRNA4HTR3A
SCHEMBL1449960 0.82 CHRNA7 (0.71) CHRNA7KCNH2CHRNB2CHRNA4HTR3A
SCHEMBL930767 0.81 CHRNA7 (0.77) CHRNA7KCNH2CHRNB2CHRNA4HTR3A
SCHEMBL18016323 0.80 CHRNA7 (1.00) CHRNA7KCNH2HTR3ACSNK1DMAPK11
SCHEMBL927767 0.80 CHRNA7 (1.00) CHRNA7KCNH2HTR3ACSNK1DMAPK11
SCHEMBL927821 0.78 CHRNA7 (0.72) CHRNA7KCNH2CHRNB2CHRNA4HTR3A
SCHEMBL927820 0.78 CHRNA7 (0.72) CHRNA7KCNH2CHRNB2CHRNA4HTR3A
SCHEMBL1740377 0.78 CHRNA7 (0.61) CHRNA7KCNH2CHRNB2CHRNA4HTR3A
SCHEMBL2677127 0.77 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4

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-20110142758-A1 INDOLYL-PYRIDAZINYL-DIAZABICYCLONONANE DERIVATIVES IN LABELLED AND UNLABELLED FORM AND THEIR USE IN DIAGNOSTIC METHODS NEUROSEARCH A/S (DK) 2011-06-16 US claimed
US-20110142758-A1 INDOLYL-PYRIDAZINYL-DIAZABICYCLONONANE DERIVATIVES IN LABELLED AND UNLABELLED FORM AND THEIR USE IN DIAGNOSTIC METHODS NEUROSEARCH A/S (DK) 2011-06-16 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-20110142758-A1 INDOLYL-PYRIDAZINYL-DIAZABICYCLONONANE DERIVATIVES IN LABELLED AND UNLABELLED FORM AND THEIR USE IN DIAGNOSTIC METHODS CNR2, CNR1, HTR3E CHRNA7 102/4885KCNH2 598/4885CHRNB2 68/4885

“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.