SCHEMBL4469713

SCHEMBL4469713

COc1ccc(-c2ccc(C34CCCN(CC3)C4)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 5/20 0.41
CASP3 P42574 3/20 0.41
SENP7 Q9BQF6 3/20 0.41
RAB9A P51151 3/20 0.41
FYN P06241 2/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CYP11B1 P15538 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
WDR5 P61964 1/20 0.37
KMT2A Q03164 2/20 0.36
SLC6A4 P31645 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 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
Bromide SCHEMBL4480044 0.99 RXFP1 (0.40) RXFP1NPC1CASP3SENP7RAB9A
SCHEMBL2678397 0.97 RXFP1 (0.43) RXFP1NPC1CASP3SENP7RAB9A
SCHEMBL2677581 0.95 RXFP1 (0.45) RXFP1NPC1CASP3SENP7RAB9A
SCHEMBL2678305 0.86 KDM1A (0.47) NPC1RAB9AFYNWDR5KMT2A
Bromide SCHEMBL4461513 0.85 CHRNA7 (0.39) KMT2A
SCHEMBL5223011 0.85 FYN (0.40) NPC1RAB9AFYNKMT2ASLC6A4
Bromide SCHEMBL4460701 0.84 FYN (0.40) NPC1RAB9AFYNKMT2ASLC6A4
SCHEMBL4463296 0.83 HSD11B1 (0.40)
SCHEMBL2678742 0.83 CYP11B1 (0.42) NPC1RAB9AFYNCYP11B1KMT2A
SCHEMBL2678416 0.82 HSD17B10 (0.36) NPC1KMT2AGAASMN1; SMN2MEN1

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-7585974-B2 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2009-09-08 US claimed
US-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2007-08-09 US claimed
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed

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-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application PAICS, CYC1, AADAC RXFP1 2942/4885NPC1 577/4885CASP3 346/4885

“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.