SCHEMBL10114217

SCHEMBL10114217

CC(C(=O)Nc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 2/20 0.70
TRPA1 O75762 5/20 0.51
MAPK1 P28482 1/20 0.51
PKM P14618 1/20 0.48
RXFP1 Q9HBX9 3/20 0.47
CYP1A2 P05177 1/20 0.47
ADORA2B P29275 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL17628696 0.93 PORCN (0.77) PORCNTRPA1MAPK1RXFP1CYP1A2
SCHEMBL10114272 0.90 PORCN (0.71) PORCNTRPA1RXFP1CYP1A2SMN1; SMN2
SCHEMBL10114203 0.89 PORCN (0.70) PORCNTRPA1MAPK1RXFP1SMN1; SMN2
SCHEMBL10114204 0.89 PORCN (0.70) PORCNTRPA1RXFP1SMN1; SMN2MEN1
SCHEMBL10114317 0.89 PORCN (0.70) PORCNTRPA1RXFP1SMN1; SMN2MEN1
SCHEMBL10114323 0.88 PORCN (0.61) PORCNTRPA1MAPK1RXFP1CYP1A2
SCHEMBL10114195 0.87 PORCN (0.60) PORCNTRPA1MAPK1RXFP1SMN1; SMN2
SCHEMBL10114200 0.87 PORCN (0.68) PORCNTRPA1RXFP1SMN1; SMN2MEN1
SCHEMBL10114353 0.85 PORCN (0.58) PORCNTRPA1MAPK1CYP1A2KMT2A
SCHEMBL10114284 0.85 RXFP1 (0.66) PORCNTRPA1RXFP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-8541423-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2013-09-24 US disclosed
US-8541423-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2013-09-24 US disclosed
US-20130123283-A1 METHODS AND COMPOSTIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2013-05-16 US disclosed
US-20130123283-A1 METHODS AND COMPOSTIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2013-05-16 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20110151018-A1 METHODS OF INSECT CONTROL BRANDEIS UNIVERSITY (US) 2011-06-23 US disclosed
US-20110151018-A1 METHODS OF INSECT CONTROL BRANDEIS UNIVERSITY (US) 2011-06-23 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 (8 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 PORCN 2223/4885TRPA1 1/4885MAPK1 3852/4885
US-20110151018-A1 METHODS OF INSECT CONTROL TRPA1, TRPV1, TRPV2 PORCN 702/4885TRPA1 1/4885MAPK1 3546/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 PORCN 1236/4885TRPA1 1/4885MAPK1 4472/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 PORCN 774/4885TRPA1 123/4885MAPK1 3067/4885
US-20130123283-A1 METHODS AND COMPOSTIONS FOR TREATING PAIN ACHE, CAT, CA3 PORCN 3209/4885TRPA1 20/4885MAPK1 4793/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 PORCN 2108/4885TRPA1 59/4885MAPK1 4386/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 PORCN 3766/4885TRPA1 1/4885MAPK1 1736/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 PORCN 2108/4885TRPA1 59/4885MAPK1 4386/4885

“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.