SCHEMBL8264682

SCHEMBL8264682

CC[C@@H]1CCC[C@H](C(=O)OC)N1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM3 P20309 2/20 0.44
DPP4 P27487 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
FKBP1A P62942 1/20 0.31
CHRM1 P11229 1/20 0.31
POLB P06746 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
SCHEMBL13567693 0.89 DPP4 (0.43) CHRM2CHRM4CHRM3DPP4CHRNB2
Hydrochloric Acid SCHEMBL15390247 0.87 DPP4 (0.42) CHRM2CHRM4CHRM3DPP4CHRNB2
Hydrochloric Acid SCHEMBL15819318 0.87 DPP4 (0.42) CHRM2CHRM4CHRM3DPP4CHRNB2
SCHEMBL19914109 0.84 CHRM2 (0.42) CHRM2CHRM4CHRM3DPP4CHRNB2
SCHEMBL19900551 0.84 CHRM2 (0.42) CHRM2CHRM4CHRM3DPP4CHRNB2
SCHEMBL16866485 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL25955767 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL19898693 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM3DPP4CHRNB2
SCHEMBL22454892 0.83 CHRM2 (0.38) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL4245452 0.82 CHRM2 (0.48) CHRM2CHRM4CHRM3CHRNB2CHRNA4

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-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 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-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP CHRM2 338/4885CHRM4 515/4885CHRM3 134/4885

“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.