SCHEMBL10113784

SCHEMBL10113784

COC(=O)C1=C(CN2CCCCC2)NC(=O)NC1c1ccc(C)cc1C

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
POLB P06746 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.61
SMN1; SMN2 Q16637 7/20 0.59
ALDH1A1 P00352 6/20 0.59
MAPT P10636 4/20 0.59
HSD17B10 Q99714 3/20 0.59
GAA P10253 2/20 0.59
USP2 O75604 2/20 0.59
TSHR P16473 2/20 0.58
TP53 P04637 4/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.49

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
SCHEMBL10113791 0.91 MEN1 (0.81) MEN1KMT2APOLBL3MBTL1SMN1; SMN2
SCHEMBL10113738 0.83 MEN1 (1.00) MEN1KMT2APOLBL3MBTL1SMN1; SMN2
SCHEMBL10113764 0.83 MEN1 (0.71) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL10280179 0.79 MEN1 (0.76) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL10113794 0.74 ALDH1A1 (1.00) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL10113750 0.74 MEN1 (0.84) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL18719830 0.70 ALDH1A1 (1.00) MEN1KMT2APOLBL3MBTL1SMN1; SMN2
SCHEMBL10113427 0.69 HTT (0.62) MEN1KMT2APOLBL3MBTL1SMN1; SMN2
SCHEMBL10113752 0.66 MAPT (0.85) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL10113540 0.64 ADORA2B (0.61) MEN1KMT2APOLBL3MBTL1SMN1; 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 15 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-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 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-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 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 (4 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-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 MEN1 4615/4885KMT2A 3764/4885POLB 3725/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MEN1 4652/4885KMT2A 3581/4885POLB 1998/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 MEN1 4734/4885KMT2A 4097/4885POLB 4470/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MEN1 4652/4885KMT2A 3581/4885POLB 1998/4885

“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.