SCHEMBL10113069

SCHEMBL10113069

CC1=C(C(=O)OCC(C)C)C(c2ccccc2C(F)(F)F)NC(=O)N1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.67
CACNA1D Q01668 1/20 0.67
CACNA1S Q13698 1/20 0.67
CACNA1C Q13936 1/20 0.67
MAPT P10636 1/20 0.63
ADORA2B P29275 5/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ADORA1 P30542 1/20 0.58
MCL1 Q07820 1/20 0.58
TSHR P16473 3/20 0.56
POLB P06746 1/20 0.56
TP53 P04637 3/20 0.53
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL14747429 0.88 CACNA1C (0.66) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL10789349 0.78 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA1
SCHEMBL10113224 0.77 MAPT (0.82) MAPTADORA2BADORA1MCL1POLB
SCHEMBL10143937 0.77 TSHR (0.77) ADORA2BMEN1KMT2ATSHRPOLB
SCHEMBL10471492 0.75 CACNA1C (0.60) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL29506642 0.75 POLB (0.74) ADORA2BMEN1KMT2ATSHRPOLB
SCHEMBL19752654 0.75 POLB (0.74) ADORA2BMEN1KMT2ATSHRPOLB
SCHEMBL2951080 0.75 POLB (0.74) ADORA2BMEN1KMT2ATSHRPOLB
SCHEMBL27673360 0.74 CACNA1C (0.64) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10113234 0.74 POLB (0.77) ADORA2BMEN1KMT2ATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US 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-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

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-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CACNA1F 1047/4885CACNA1D 1116/4885CACNA1S 800/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 CACNA1F 133/4885CACNA1D 109/4885CACNA1S 158/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CACNA1F 1047/4885CACNA1D 1116/4885CACNA1S 800/4885

“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.