SCHEMBL13401096

SCHEMBL13401096

CC(C)C(=O)N1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 7/20 0.64
▸ CHRNA3 P32297 7/20 0.64
▸ CHRNA4 P43681 7/20 0.64
▸ CHRNB3 Q05901 7/20 0.64
▸ CHRNA6 Q15825 7/20 0.64
▸ PLD2 O14939 2/20 0.39
▸ PLD1 Q13393 2/20 0.39
▸ PIK3CD O00329 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MDM2 Q00987 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MLNR O43193 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL23135529 1.00 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10139548 0.79 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1978059 0.78 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14164982 0.78 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14165240 0.78 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20795047 0.77 CHRNB2 (0.81) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14465908 0.76 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21892132 0.76 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14165101 0.76 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23135935 0.76 CHRNB2 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME 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 (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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 CHRNB2 150/4885CHRNA3 218/4885CHRNA4 219/4885

“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.

Send feedback