SCHEMBL10113738

SCHEMBL10113738

CCOC(=O)C1=C(CN2CCCCC2)NC(=O)NC1c1cc(C)ccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
POLB P06746 1/20 1.00
ALDH1A1 P00352 6/20 0.82
MAPT P10636 4/20 0.82
TSHR P16473 3/20 0.82
HSD17B10 Q99714 2/20 0.82
TP53 P04637 4/20 0.67
USP2 O75604 4/20 0.67
NPSR1 Q6W5P4 3/20 0.66
PKM P14618 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
GAA P10253 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL10113750 0.91 MEN1 (0.84) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10113791 0.90 MEN1 (0.81) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10280179 0.86 MEN1 (0.76) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10113784 0.83 MEN1 (0.71) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10113752 0.82 MAPT (0.85) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10113764 0.82 MEN1 (0.71) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL18719830 0.79 ALDH1A1 (1.00) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10113794 0.74 ALDH1A1 (1.00) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10113749 0.71 TP53 (0.88) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10113742 0.71 SMN1; SMN2 (1.00) MEN1KMT2APOLBALDH1A1MAPT

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 14 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-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 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.