SCHEMBL1064795

SCHEMBL1064795

Cn1c(=O)c2c(ncn2CC(=O)NCCc2ccc(Cl)c(Cl)c2)n(C)c1=O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 1/20 0.73
LMNA P02545 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HTT P42858 1/20 0.66
UBE2N P61088 1/20 0.66
KMT2A Q03164 2/20 0.63
RXFP1 Q9HBX9 5/20 0.60
TP53 P04637 2/20 0.60
MAPK1 P28482 2/20 0.60
POLB P06746 1/20 0.60
THRB P10828 1/20 0.58
GAA P10253 1/20 0.56
MEN1 O00255 1/20 0.55
TRPA1 O75762 1/20 0.54
MAPT P10636 1/20 0.54
ADORA2B P29275 1/20 0.53

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
SCHEMBL12584444 0.92 CYP1A2 (0.71) CYP1A2CYP3A4LMNASMN1; SMN2HTT
SCHEMBL20161634 0.90 LMNA (0.68) CYP1A2CYP3A4LMNASMN1; SMN2HTT
SCHEMBL1066761 0.89 CYP1A2 (0.71) CYP1A2CYP3A4LMNASMN1; SMN2KMT2A
SCHEMBL18166723 0.87 CYP1A2 (0.69) CYP1A2CYP3A4LMNASMN1; SMN2HTT
SCHEMBL18166548 0.87 CYP1A2 (0.75) CYP1A2CYP3A4LMNASMN1; SMN2KMT2A
SCHEMBL1060801 0.86 CYP1A2 (0.72) CYP1A2CYP3A4LMNASMN1; SMN2KMT2A
SCHEMBL18166736 0.86 CYP1A2 (0.72) CYP1A2CYP3A4LMNASMN1; SMN2KMT2A
SCHEMBL18166737 0.85 CYP1A2 (0.71) CYP1A2CYP3A4LMNASMN1; SMN2KMT2A
SCHEMBL18166663 0.85 CYP1A2 (0.71) CYP1A2CYP3A4LMNASMN1; SMN2KMT2A
SCHEMBL20161764 0.85 CYP1A2 (0.71) CYP1A2CYP3A4LMNASMN1; SMN2KMT2A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 US disclosed
US-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 US disclosed
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-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-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 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-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-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
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 US disclosed
WO-2007073505-A2 TRPA1 INHIBITORS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2007-06-28 WO 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 (5 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-10351567-B2 Methods and compositions for treating pain ACHE, COL2A1, MMP8 CYP1A2 2431/4885CYP3A4 3970/4885LMNA 1619/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CYP1A2 2431/4885CYP3A4 3970/4885LMNA 1619/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CYP1A2 2431/4885CYP3A4 3970/4885LMNA 1619/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 CYP1A2 4040/4885CYP3A4 4673/4885LMNA 3299/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CYP1A2 2431/4885CYP3A4 3970/4885LMNA 1619/4885

“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.