SCHEMBL8374384

SCHEMBL8374384

CN1C2CCC1CN(C(=O)CCO)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRNB3 Q05901 2/20 0.38
CHRNA6 Q15825 2/20 0.38
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.32
PREP P48147 2/20 0.32
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32

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
SCHEMBL18820470 0.84 LMNA (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7849499 0.84 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13451574 0.79 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19013719 0.79 NPC1 (0.39) NPC1LMNAALDH1A1MAPT
SCHEMBL13265388 0.76 ITGB3 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23226991 0.75 NPC1 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8268323 0.73 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13451563 0.73 LMNA (0.41) LMNACYP2C9ALDH1A1TSHRMEN1
SCHEMBL20343504 0.72 HSD11B1 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25260782 0.71 LMNA (0.44) LMNACYP2C9ALDH1A1TSHRMEN1

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-7998958-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-20100093695-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-15 US disclosed
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-08 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 (2 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-20100093695-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors BACE1, BACE2, APP CHRNB2 15/4885CHRNA3 26/4885CHRNA4 62/4885
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors BACE1, BACE2, APP CHRNB2 16/4885CHRNA3 30/4885CHRNA4 69/4885

“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.