SCHEMBL10113920

SCHEMBL10113920

Cn1c(=O)c2c(ncn2CC(=O)Nc2nccs2)n(C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PORCN Q9H237 2/20 0.70
▸ KDM4E B2RXH2 1/20 0.66
▸ RXFP1 Q9HBX9 4/20 0.63
▸ ADORA2B P29275 1/20 0.62
▸ THRB P10828 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.60
▸ TRPA1 O75762 1/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59

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
SCHEMBL15075804 0.85 LMNA (0.63) PORCNKDM4ERXFP1ADORA2BTHRB
SCHEMBL15075803 0.83 RXFP1 (0.64) PORCNKDM4ERXFP1ADORA2BTHRB
SCHEMBL17626307 0.83 PORCN (1.00) PORCNKDM4ERXFP1THRBCYP1A2
SCHEMBL18166643 0.83 RXFP1 (0.72) PORCNKDM4ERXFP1THRBCYP1A2
SCHEMBL18166677 0.82 RXFP1 (0.70) PORCNKDM4ERXFP1THRBCYP1A2
SCHEMBL10178146 0.82 RXFP1 (0.63) PORCNKDM4ERXFP1ADORA2BTHRB
SCHEMBL17626188 0.81 PORCN (0.80) PORCNKDM4ERXFP1THRBCYP1A2
SCHEMBL18166618 0.81 MAPT (0.79) PORCNKDM4ERXFP1CYP1A2KMT2A
SCHEMBL18166709 0.81 SMN1; SMN2 (0.73) PORCNRXFP1THRBCYP1A2KMT2A
SCHEMBL10113870 0.81 TRPA1 (0.76) PORCNRXFP1ADORA2BTHRBCYP1A2

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 17 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
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 — — EP 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-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 (4 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-20110151018-A1 METHODS OF INSECT CONTROL TRPA1, TRPV1, TRPV2 PORCN 702/4885KDM4E 2498/4885RXFP1 2802/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 PORCN 2108/4885KDM4E 3968/4885RXFP1 611/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 PORCN 3766/4885KDM4E 4737/4885RXFP1 33/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 PORCN 2108/4885KDM4E 3968/4885RXFP1 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.

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