SCHEMBL1065506

SCHEMBL1065506

Cn1c(=O)c2c(ncn2CC(=O)NCCc2ccccc2Cl)n(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.64
▸ RXFP1 Q9HBX9 3/20 0.64
▸ MAPK1 P28482 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ KMT2A Q03164 2/20 0.58
▸ LMNA P02545 3/20 0.58
▸ POLB P06746 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ ALOX15 P16050 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ PORCN Q9H237 1/20 0.55
▸ TRPA1 O75762 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55

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
SCHEMBL18166598 0.92 RXFP1 (0.71) TP53RXFP1MAPK1CYP1A2CYP3A4
SCHEMBL10113968 0.90 TP53 (0.67) TP53RXFP1MAPK1CYP1A2KMT2A
SCHEMBL1067104 0.89 CYP1A2 (0.69) TP53RXFP1MAPK1CYP1A2CYP3A4
SCHEMBL18166656 0.89 RXFP1 (0.68) TP53RXFP1MAPK1CYP1A2CYP3A4
SCHEMBL18166549 0.88 POLB (0.69) TP53RXFP1MAPK1CYP1A2CYP3A4
SCHEMBL18166567 0.88 RXFP1 (0.61) TP53RXFP1MAPK1CYP1A2CYP3A4
SCHEMBL1063738 0.88 RXFP1 (0.61) TP53RXFP1MAPK1CYP1A2CYP3A4
SCHEMBL1064143 0.86 CYP1A2 (0.72) TP53RXFP1MAPK1CYP1A2CYP3A4
SCHEMBL20161764 0.85 CYP1A2 (0.71) TP53RXFP1MAPK1CYP1A2CYP3A4
SCHEMBL18166590 0.84 CYP1A2 (0.69) TP53RXFP1MAPK1CYP1A2CYP3A4

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 40 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-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-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 TP53 4400/4885RXFP1 611/4885MAPK1 4386/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TP53 4400/4885RXFP1 611/4885MAPK1 4386/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TP53 4400/4885RXFP1 611/4885MAPK1 4386/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TP53 4573/4885RXFP1 33/4885MAPK1 1736/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TP53 4400/4885RXFP1 611/4885MAPK1 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.

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