SCHEMBL1553493

SCHEMBL1553493

O=C(c1n[nH]c2ccccc12)N1CCN2CCC1C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.56
HTR3A P46098 2/20 0.56
EIF4A3 P38919 1/20 0.50
RBP4 P02753 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
USP30 Q70CQ3 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 5/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
YTHDC1 Q96MU7 1/20 0.44
STAT3 P40763 1/20 0.44

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
Hydrochloric Acid SCHEMBL3855621 0.99 CHRNA7 (0.55) CHRNA7HTR3AEIF4A3RBP4RAB9A
SCHEMBL1572778 0.92 CHRNA7 (0.52) CHRNA7HTR3AEIF4A3RBP4RAB9A
SCHEMBL17347549 0.92 KDM4E (0.50) CHRNA7HTR3AEIF4A3RBP4RAB9A
Hydrochloric Acid SCHEMBL4223898 0.91 CHRNA7 (0.51) CHRNA7HTR3AEIF4A3RBP4RAB9A
SCHEMBL17347527 0.88 CHRNA7 (0.51) CHRNA7HTR3AEIF4A3RBP4RAB9A
SCHEMBL3856372 0.85 RBP4 (0.49) CHRNA7HTR3AEIF4A3RBP4MAPT
SCHEMBL3864878 0.85 MAPT (0.42) CHRNA7HTR3AEIF4A3RBP4RAB9A
SCHEMBL3856255 0.85 RBP4 (0.49) CHRNA7HTR3AEIF4A3RBP4MAPT
SCHEMBL3856947 0.85 RBP4 (0.50) CHRNA7HTR3ARBP4
Bromide SCHEMBL3859271 0.84 RBP4 (0.49) CHRNA7HTR3ARBP4

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-7589201-B2 Derivatives of 1,4-diazabicyclo[3.2.1]octanecarboxamide, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-15 US claimed
US-20070155749-A1 DERIVATIVES OF 1,4-DIAZABICYCLO[3.2.1]OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-07-05 US claimed
EP-1709052-B1 DERIVATIVES OF 1,4-DIAZABICYCLO 3.2.1OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2011-04-27 EP 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-20070155749-A1 DERIVATIVES OF 1,4-DIAZABICYCLO[3.2.1]OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CNR1, CNR2, NPY1R CHRNA7 1666/4885HTR3A 2836/4885EIF4A3 2153/4885

“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.