SCHEMBL2977940

SCHEMBL2977940

O=C(c1ccncc1)C1CC2CNCC(C2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.60
CHRNA4 P43681 8/20 0.60
CHRNB4 P30926 6/20 0.60
CHRNA3 P32297 6/20 0.60
CHRNA7 P36544 4/20 0.51
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9906272 0.85 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2985885 0.85 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2994939 0.80 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL584474 0.75 CHRNA4 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6494263 0.74 KDM4E (0.58) KDM4EGAAPOLBCYP3A4MEN1
SCHEMBL4672867 0.74 MEN1 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL28957256 0.71 POLB (0.55) KDM4EGAAPOLBCYP3A4CYP2C19
SCHEMBL11638730 0.69 SRD5A2 (0.58) KDM4EGAAPOLBCYP3A4CYP2C19
SCHEMBL3337896 0.69 CHRNB2 (0.71) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4672863 0.68 KDM4E (0.53) KDM4EGAAPOLBCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 US disclosed
EP-2139857-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES Targacept Inc. (US) 2010-01-06 EP disclosed
WO-2008121686-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2008-10-09 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-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES CHRNB2, CHRNB4, CHRNA4 CHRNB2 1/4885CHRNA4 3/4885CHRNB4 2/4885

“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.