SCHEMBL10113261

SCHEMBL10113261

CCOC(=O)C1=C(C)N(CC)C(=O)NC1c1ccccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
ALOX12 P18054 2/20 0.67
POLB P06746 2/20 0.64
TSHR P16473 2/20 0.64
ALDH1A1 P00352 6/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 1/20 0.61
TRPC5 Q9UL62 1/20 0.60
LMNA P02545 5/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
PKM P14618 1/20 0.55
CYP2D6 P10635 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.49
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
SCHEMBL19752684 0.78 POLB (1.00) CYP3A4CYP2C9CYP2C19ALOX12POLB
SCHEMBL19752686 0.78 POLB (1.00) CYP3A4CYP2C9CYP2C19ALOX12POLB
SCHEMBL10113389 0.78 LMNA (0.80) CYP3A4CYP2C9CYP2C19ALOX12POLB
SCHEMBL19590933 0.78 CYP2C9 (0.59) CYP3A4CYP2C9CYP2C19ALOX12POLB
SCHEMBL10113724 0.77 ALDH1A1 (0.61) TSHRALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL10113726 0.76 ALDH1A1 (0.70) TSHRALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL9865516 0.75 PYGL (0.48) CYP3A4CYP2C9CYP2C19ALOX12POLB
SCHEMBL14164088 0.75 CA1 (0.78) CYP3A4CYP2C9CYP2C19ALOX12POLB
SCHEMBL31706859 0.75 CA1 (0.78) CYP3A4CYP2C9CYP2C19ALOX12POLB
SCHEMBL10113258 0.74 TSHR (0.75) CYP3A4CYP2C9CYP2C19ALOX12POLB

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 11 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-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-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 CYP3A4 3970/4885CYP2C9 2647/4885CYP2C19 2785/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 CYP3A4 4673/4885CYP2C9 4335/4885CYP2C19 4471/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CYP3A4 3970/4885CYP2C9 2647/4885CYP2C19 2785/4885

“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.