SCHEMBL10114304

SCHEMBL10114304

CN(CCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ TP53 P04637 2/20 0.59
▸ CYP1A2 P05177 2/20 0.57
▸ LMNA P02545 3/20 0.56
▸ HTT P42858 3/20 0.56
▸ MAPT P10636 1/20 0.56
▸ GAA P10253 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ADORA2B P29275 1/20 0.55
▸ CYP3A4 P08684 1/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ PORCN Q9H237 1/20 0.54
▸ POLB P06746 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
SCHEMBL12584332 0.94 RXFP1 (0.61) RXFP1MAPK1TP53CYP1A2LMNA
SCHEMBL12260233 0.87 RXFP1 (0.67) RXFP1MAPK1TP53CYP1A2LMNA
SCHEMBL17744968 0.84 RXFP1 (0.75) RXFP1MAPK1TP53CYP1A2LMNA
SCHEMBL12260317 0.84 RXFP1 (0.66) RXFP1MAPK1TP53CYP1A2LMNA
SCHEMBL12260312 0.84 RXFP1 (0.66) RXFP1MAPK1TP53CYP1A2LMNA
SCHEMBL14296917 0.83 RXFP1 (0.62) RXFP1MAPK1TP53CYP1A2LMNA
SCHEMBL5462777 0.82 RXFP1 (0.78) RXFP1MAPK1TP53CYP1A2LMNA
SCHEMBL20161764 0.82 CYP1A2 (0.71) RXFP1MAPK1TP53CYP1A2LMNA
SCHEMBL12260302 0.81 RXFP1 (0.71) RXFP1MAPK1TP53CYP1A2LMNA
SCHEMBL12260301 0.81 RXFP1 (0.71) RXFP1MAPK1TP53CYP1A2LMNA

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 RXFP1 611/4885MAPK1 4386/4885TP53 4400/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 RXFP1 33/4885MAPK1 1736/4885TP53 4573/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 RXFP1 611/4885MAPK1 4386/4885TP53 4400/4885

“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.

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