SCHEMBL2994939

SCHEMBL2994939

O=C(c1ccc(F)cc1)C1CC2CNCC(C2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.51
CHRNA4 P43681 4/20 0.51
CHRNA7 P36544 1/20 0.51
HSD11B1 P28845 6/20 0.46
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
MGLL Q99685 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2994309 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7HSD11B1CHRNB4
SCHEMBL9906276 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7HSD11B1CHRNB4
SCHEMBL7411571 0.84 HSD11B1 (0.53) HSD11B1HTR2AHTR2CHTR7HTR6
Hydrochloric Acid SCHEMBL7252645 0.82 HSD11B1 (0.51) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL2977940 0.80 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2988672 0.76 KMT2A (0.51) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2146518 0.75 MEN1 (0.54) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL3800056 0.74 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7HSD11B1CHRNB4
SCHEMBL662115 0.74 HSD11B1 (0.68) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL31164032 0.74 HSD11B1 (0.68) HSD11B1HTR2AHTR2CHTR7HTR6

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
EP-2139857-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES Targacept Inc. (US) 2010-01-06 EP claimed
WO-2008121686-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2008-10-09 WO claimed
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

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 3/4885CHRNA7 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.