SCHEMBL4920356

SCHEMBL4920356

CC(C)(C)C1[C@@H](O)[C@](O)(c2ccccc2)CCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.45
CNR1 P21554 4/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4917201 1.00 CNR2 (0.45) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL4919417 0.88 SLC6A3 (0.45) CNR2CNR1KMT2A
SCHEMBL4926309 0.88 SLC6A3 (0.45) CNR2CNR1KMT2A
SCHEMBL4911239 0.84 CNR2 (0.42) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL4913225 0.81 CNR2 (0.40) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL17799011 0.78 CNR2 (0.34) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL4924815 0.74 SLC6A3 (0.42) CNR2KMT2A
SCHEMBL2726583 0.74
SCHEMBL4916637 0.73 GAA (0.39) CNR2
SCHEMBL4921780 0.73 GAA (0.39) CNR2

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-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 US disclosed
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MCMURRAY GORDON 2008-09-25 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 (3 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-10233191-B2 Fused piperidine amides as modulators of ion channels TRPV1, TRPA1, KCNJ2 CNR2 223/4885CNR1 283/4885ALDH1A1 2307/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 CNR2 223/4885CNR1 283/4885ALDH1A1 2307/4885
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MC4R, MC5R, GPR4 CNR2 82/4885CNR1 74/4885ALDH1A1 2792/4885

“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.