SCHEMBL1463550

SCHEMBL1463550

CCC(=O)N1CC2CN(C(=O)OC(C)(C)C)CC2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.59
CHRNB2 P17787 3/20 0.51
CHRNA3 P32297 3/20 0.51
CHRNA4 P43681 3/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNA7 P36544 2/20 0.51
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
NAMPT P43490 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL16963368 0.85 NR1H2 (0.58) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL16963370 0.85 NR1H2 (0.58) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL16892079 0.83 NR1H2 (0.59) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL15871713 0.83 NR1H2 (0.59) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL21765914 0.81 CHRNB2 (0.72) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL21765915 0.81 CHRNB2 (0.72) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL24693307 0.80 NR1H2 (0.60) NR1H2CHRNB2CHRNA3CHRNA4CHRNB4
SCHEMBL8431612 0.80 SMN1; SMN2 (0.55) NR1H2USP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL15495236 0.80 NR1H2 (0.60) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL18711408 0.80 NR1H2 (0.60) NR1H2CHRNB2CHRNA3CHRNA4CHRNB4

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-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2011-03-24 US disclosed
EP-2257549-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES Targacept Inc. (US) 2010-12-08 EP disclosed
WO-2009111550-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES TARGACEPT, INC. (US) 2009-09-11 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 (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-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA7, CHRNA2, CHRNA5 NR1H2 297/4885CHRNB2 4/4885CHRNA3 8/4885

“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.