SCHEMBL1059288

SCHEMBL1059288

CC(C)c1ccc(NC(=O)C(C)(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.64
PDE4B Q07343 2/20 0.48
PDE7A Q13946 2/20 0.48
PORCN Q9H237 4/20 0.46
RXFP1 Q9HBX9 3/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 2/20 0.45
PIK3CD O00329 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CNR1 P21554 1/20 0.45
ACHE P22303 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
NTSR1 P30989 1/20 0.45
MC3R P41968 1/20 0.45
NOTUM Q6P988 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
GDA Q9Y2T3 1/20 0.45
NR2E1 Q9Y466 1/20 0.45

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
SCHEMBL17626185 0.81 PORCN (0.67) TRPA1PORCNRXFP1TP53POLB
SCHEMBL1064155 0.78 TRPA1 (1.00) TRPA1PORCNRXFP1TP53POLB
SCHEMBL1065297 0.74 ADORA2B (0.57) RXFP1POLBPIK3CDADORA3CNR1
SCHEMBL17626243 0.74 SMN1; SMN2 (0.56) RXFP1TP53POLBPIK3CDADORA3
SCHEMBL15394742 0.72 TRPA1 (0.78) TRPA1PORCNRXFP1TP53POLB
SCHEMBL11227138 0.71 ADORA2B (0.60) RXFP1POLBPIK3CDADORA3CNR1
SCHEMBL21363487 0.71 ADORA2B (0.64) RXFP1POLBPIK3CDADORA3CNR1
SCHEMBL10114203 0.70 PORCN (0.70) TRPA1PORCNRXFP1TP53POLB
SCHEMBL3787737 0.70 TRPA1 (0.80) TRPA1PORCNRXFP1TP53POLB
SCHEMBL2694905 0.70 TRPA1 (0.67) TRPA1PDE4BPDE7APORCNRXFP1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 US disclosed
US-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 US disclosed
EP-1962855-A2 TRPA1 INHIBITORS FOR TREATING PAIN Hydra Biosciences, Inc. (US) 2008-09-03 EP disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 US disclosed
WO-2007073505-A2 TRPA1 INHIBITORS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2007-06-28 WO disclosed
WO-2007073505-A2 TRPA1 INHIBITORS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2007-06-28 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 (5 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 TRPA1 1/4885PDE4B 1328/4885PDE7A 1776/4885
US-10351567-B2 Methods and compositions for treating pain ACHE, COL2A1, MMP8 TRPA1 59/4885PDE4B 340/4885PDE7A 183/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TRPA1 59/4885PDE4B 340/4885PDE7A 183/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TRPA1 59/4885PDE4B 340/4885PDE7A 183/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TRPA1 1/4885PDE4B 444/4885PDE7A 181/4885

“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.