SCHEMBL5002118

SCHEMBL5002118

O=CC1CN(C(=O)CO)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.32
CHRNA3 P32297 4/20 0.32
CHRNA4 P43681 4/20 0.32
CHRNB3 Q05901 3/20 0.32
CHRNA6 Q15825 3/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA7 P36544 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL4756862 0.84 ALDH1A1 (0.33) DPP4
SCHEMBL4757549 0.81 ALDH1A1 (0.41) DPP4
SCHEMBL4754539 0.78 ALDH1A1 (0.38)
SCHEMBL22236869 0.73 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL321958 0.73
SCHEMBL3313290 0.73
SCHEMBL3313294 0.73
SCHEMBL16059312 0.71 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21204731 0.71 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16059313 0.71 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US claimed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR CHRNB2 1145/4885CHRNA3 652/4885CHRNA4 571/4885

“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.