SCHEMBL893264

SCHEMBL893264

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
USP30 Q70CQ3 1/20 0.48
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
F2 P00734 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
TACR1 P25103 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
P2RX7 Q99572 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL29514072 0.93 ALDH1A1 (0.54) ALDH1A1USP30LMNANPSR1F2
SCHEMBL17056182 0.93 ALDH1A1 (0.54) ALDH1A1USP30LMNANPSR1F2
SCHEMBL7314949 0.90 ALDH1A1 (0.59) ALDH1A1USP30LMNANPSR1F2
SCHEMBL18882738 0.90 ALDH1A1 (0.51) ALDH1A1USP30LMNANPSR1F2
SCHEMBL7989544 0.87 ALDH1A1 (0.66) ALDH1A1USP30LMNANPSR1F2
SCHEMBL3728015 0.85 ALDH1A1 (0.52) ALDH1A1USP30LMNANPSR1SMN1; SMN2
SCHEMBL28449589 0.85 ALDH1A1 (0.56) ALDH1A1LMNANPSR1F2SMN1; SMN2
SCHEMBL20811541 0.85 ALDH1A1 (0.56) ALDH1A1LMNANPSR1F2SMN1; SMN2
SCHEMBL894253 0.84 ALDH1A1 (0.53) ALDH1A1USP30LMNANPSR1SMN1; SMN2
SCHEMBL17056184 0.84 ALDH1A1 (0.56) ALDH1A1USP30LMNANPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 ALDH1A1 1469/4885USP30 2958/4885LMNA 4619/4885

“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.