SCHEMBL3463550

SCHEMBL3463550

c1cncc(C2CCC3(CCCNC3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.48
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
CHRNA7 P36544 2/20 0.44
CYP2A6 P11509 7/20 0.43
MEN1 O00255 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.38
KDM1A O60341 1/20 0.38
HDAC4 P56524 1/20 0.38
CYP3A4 P08684 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
SCHEMBL3464833 0.92 CHRNB2 (0.46) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL3463798 0.88 CYP11B2 (0.50) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL3464784 0.85 ROCK2 (0.37) CYP2D6CYP2C19SMN1; SMN2CYP1A2CYP2C9
SCHEMBL485099 0.83 CYP11B2 (0.53) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL20345524 0.78 CYP11B2 (0.51) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL3465225 0.78 CHRNB2 (0.39) CHRNB2CHRNA4CYP2D6CYP2C19CYP1A2
SCHEMBL3464644 0.78 ESR2 (0.35) CYP2D6CYP2C19KMT2ASMN1; SMN2CYP1A2
SCHEMBL3463093 0.78 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7MEN1KMT2A
SCHEMBL3462932 0.77 ALDH1A1 (0.37) CYP2D6CYP2C19SMN1; SMN2CYP1A2CYP3A4
SCHEMBL3463372 0.77 CYP2D6 (0.37) CHRNB2CHRNA4CHRNA7CYP2D6CYP2C19

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 CYP11B2 361/4885CHRNB2 7/4885CHRNA4 22/4885
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof MUSK, TNNC1, CHRNA5 CYP11B2 361/4885CHRNB2 7/4885CHRNA4 22/4885
US-20080242689-A1 Analgesics, central nervous system disorders, obesity, side effect reduction OPRL1, OPRK1, ACHE CYP11B2 177/4885CHRNB2 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.