SCHEMBL3463129

SCHEMBL3463129

Oc1ccc(C2CCC3(CNC3)C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.39
ESR1 P03372 1/20 0.39
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MGLL Q99685 2/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL3463117 0.90 ESR2 (0.36) ESR2ESR1DDB1CRBNL3MBTL1
SCHEMBL3464644 0.88 ESR2 (0.35) ESR2ESR1DDB1CRBNKDM4E
SCHEMBL3464678 0.82 CHRNB2 (0.42) KMT2ATDP1
SCHEMBL3462976 0.79 CHRNB2 (0.36) KDM1A
SCHEMBL3463798 0.75 CYP11B2 (0.50) KMT2ASMN1; SMN2
SCHEMBL3463968 0.74 HDAC4 (0.34) ESR2ESR1
SCHEMBL30529422 0.73 ESR2 (0.44) ESR2ESR1KDM4EGLAHTT
SCHEMBL3465236 0.73 KDM4E (0.32) ESR2ESR1KDM4EGLAHTT
SCHEMBL3464921 0.73 CHRNB2 (0.40) KMT2ATDP1
SCHEMBL26128018 0.73 KDM4E (0.46) ESR2ESR1KDM4EGLAHTT

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 14 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
EP-1802601-A1 AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY Targacept, Inc. (US) 2007-07-04 EP claimed
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof BHATTI BALWINDER 2006-04-06 US claimed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 WO 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
EP-1802601-A1 AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY Targacept, Inc. (US) 2007-07-04 EP disclosed
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof BHATTI BALWINDER 2006-04-06 US disclosed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 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 (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 ESR2 3098/4885ESR1 4474/4885DDB1 1805/4885
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof MUSK, TNNC1, CHRNA5 ESR2 3098/4885ESR1 4474/4885DDB1 1805/4885
US-20080242689-A1 Analgesics, central nervous system disorders, obesity, side effect reduction OPRL1, OPRK1, ACHE ESR2 2991/4885ESR1 4366/4885DDB1 2793/4885

“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.