SCHEMBL1060801

SCHEMBL1060801

Cc1ccc(CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 1/20 0.72
RXFP1 Q9HBX9 6/20 0.64
TP53 P04637 4/20 0.64
MAPK1 P28482 2/20 0.64
LMNA P02545 2/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
ADORA2B P29275 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TRPA1 O75762 1/20 0.55
THRB P10828 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL18166736 0.92 CYP1A2 (0.72) CYP1A2CYP3A4RXFP1TP53MAPK1
SCHEMBL1066761 0.91 CYP1A2 (0.71) CYP1A2CYP3A4RXFP1TP53MAPK1
SCHEMBL18166737 0.91 CYP1A2 (0.71) CYP1A2CYP3A4RXFP1TP53MAPK1
SCHEMBL20161764 0.90 CYP1A2 (0.71) CYP1A2CYP3A4RXFP1TP53MAPK1
SCHEMBL18166663 0.90 CYP1A2 (0.71) CYP1A2CYP3A4RXFP1TP53MAPK1
SCHEMBL18166555 0.90 CYP1A2 (0.70) CYP1A2CYP3A4RXFP1TP53MAPK1
SCHEMBL12584223 0.89 LMNA (0.71) CYP1A2CYP3A4RXFP1TP53MAPK1
SCHEMBL10178119 0.89 PDE4A (0.61) CYP1A2CYP3A4RXFP1TP53MAPK1
SCHEMBL10178028 0.89 CYP1A2 (0.59) CYP1A2CYP3A4RXFP1TP53MAPK1
SCHEMBL18166531 0.89 CYP1A2 (0.59) CYP1A2CYP3A4RXFP1TP53MAPK1

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 36 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 3970/4885RXFP1 611/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CYP1A2 2431/4885CYP3A4 3970/4885RXFP1 611/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CYP1A2 2431/4885CYP3A4 3970/4885RXFP1 611/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 CYP1A2 4040/4885CYP3A4 4673/4885RXFP1 33/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CYP1A2 2431/4885CYP3A4 3970/4885RXFP1 611/4885

“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.