SCHEMBL2995410

SCHEMBL2995410

NCCNC(=O)C1CC2CNCC(C2)C1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.70
CHRNA4 P43681 11/20 0.70
CHRNB4 P30926 7/20 0.70
CHRNA3 P32297 7/20 0.70
CHRNA7 P36544 7/20 0.70
MC4R P32245 1/20 0.41
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
POLB P06746 1/20 0.33
ESR1 P03372 1/20 0.32
APOL1 O14791 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
SCHEMBL2997182 0.86 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2988509 0.83 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2986636 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2988026 0.78 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2987063 0.78 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2986590 0.75 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4679423 0.74
SCHEMBL2262712 0.74 GNAI3 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2991760 0.74 KMT2A (0.59) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2993725 0.74 CHRNB2 (0.58) 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 6 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-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
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
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 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 (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.