SCHEMBL10113749

SCHEMBL10113749

CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)NC1c1ccc(Cl)cc1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.88
NPSR1 Q6W5P4 3/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
RECQL P46063 1/20 0.80
CREBBP Q92793 1/20 0.80
MAPT P10636 3/20 0.77
GAA P10253 3/20 0.75
ALDH1A1 P00352 2/20 0.70
HTT P42858 1/20 0.70
POLB P06746 1/20 0.70
THRB P10828 2/20 0.67
LMNA P02545 1/20 0.61

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
SCHEMBL10113742 0.89 SMN1; SMN2 (1.00) TP53NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL10113778 0.84 SMN1; SMN2 (0.78) TP53NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL10113781 0.82 MAPT (1.00) TP53NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL10113750 0.81 MEN1 (0.84) TP53NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL5340705 0.78 HSD17B10 (0.75) TP53SMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL18719830 0.77 ALDH1A1 (1.00) TP53NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL10280175 0.76 TP53 (0.54) TP53NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL3951160 0.75 MEN1 (0.64) TP53NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL3943551 0.73 KMT2A (0.72) TP53NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL19752713 0.73 MEN1 (0.67) TP53SMN1; SMN2MEN1KMT2AMAPT

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 TP53 4400/4885NPSR1 401/4885SMN1; SMN2 365/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TP53 4573/4885NPSR1 73/4885SMN1; SMN2 1002/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TP53 4400/4885NPSR1 401/4885SMN1; SMN2 365/4885

“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.