SCHEMBL3463985

SCHEMBL3463985

Clc1ccc(Oc2cncc(C3CCC4(CCCN4)CC3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.38
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 3/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA7 P36544 1/20 0.37
IDO1 P14902 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CHRNB1 P11230 1/20 0.32
CHRNB3 Q05901 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL3464941 0.93 LTA4H (0.36) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3464524 0.90 CHRNB2 (0.38) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3463900 0.88 CHRNB2 (0.35) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3463772 0.82 HDAC4 (0.35) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3463122 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3IDO1
SCHEMBL3463853 0.79 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL3465462 0.78 CHRNB2 (0.37) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3464006 0.78 CHRNB2 (0.38) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3463640 0.78 CHRNB2 (0.35) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3465000 0.78 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240689-A1 N-ARYL AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2010-09-23 US claimed
US-7754708-B2 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2010-07-13 US claimed
US-20080242689-A1 Analgesics, central nervous system disorders, obesity, side effect reduction BHATTI BALWINDER 2008-10-02 US claimed
US-7384929-B2 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2008-06-10 US claimed
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof BHATTI BALWINDER 2006-04-06 US claimed
US-20100240689-A1 N-ARYL AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2010-09-23 US disclosed
US-7754708-B2 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2010-07-13 US disclosed
US-20080242689-A1 Analgesics, central nervous system disorders, obesity, side effect reduction BHATTI BALWINDER 2008-10-02 US disclosed
US-7384929-B2 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2008-06-10 US disclosed
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof BHATTI BALWINDER 2006-04-06 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 (3 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-20100240689-A1 N-ARYL AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF MUSK, TNNC1, CHRNA5 LTA4H 1525/4885CHRNB2 7/4885CHRNA4 22/4885
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof MUSK, TNNC1, CHRNA5 LTA4H 1525/4885CHRNB2 7/4885CHRNA4 22/4885
US-20080242689-A1 Analgesics, central nervous system disorders, obesity, side effect reduction OPRL1, OPRK1, ACHE LTA4H 1676/4885CHRNB2 15/4885CHRNA4 23/4885

“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.