SCHEMBL10114429

SCHEMBL10114429

Cn1c(=O)c2c(ncn2CC(=O)NCC(C)(c2ccccc2)c2ccccc2)n(C)c1=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.63
▸ CYP1A2 P05177 1/20 0.62
▸ RXFP1 Q9HBX9 5/20 0.61
▸ LMNA P02545 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ ADORA2B P29275 1/20 0.60
▸ ALOX15 P16050 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ TP53 P04637 3/20 0.59
▸ PORCN Q9H237 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL20161764 0.82 CYP1A2 (0.71) MAPK1CYP1A2RXFP1LMNAGAA
SCHEMBL5462777 0.81 RXFP1 (0.78) MAPK1CYP1A2RXFP1LMNAGAA
SCHEMBL4533692 0.81 RXFP1 (0.78) MAPK1CYP1A2RXFP1GAAALOX15
Ethylbenzene SCHEMBL28785055 0.81 LMNA (0.66) MAPK1CYP1A2RXFP1LMNAGAA
SCHEMBL10113885 0.81 KMT2A (0.71) MAPK1CYP1A2RXFP1LMNAGAA
SCHEMBL18166591 0.80 MAPK1 (0.74) MAPK1CYP1A2RXFP1LMNAGAA
SCHEMBL17744968 0.79 RXFP1 (0.75) MAPK1CYP1A2RXFP1LMNAGAA
SCHEMBL10114162 0.79 KMT2A (0.70) MAPK1CYP1A2RXFP1LMNAADORA2B
SCHEMBL18166555 0.79 CYP1A2 (0.70) MAPK1CYP1A2RXFP1LMNAGAA
SCHEMBL10114261 0.79 CYP1A2 (0.72) MAPK1CYP1A2RXFP1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 — — EP disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 — — US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 — — 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
EP-3184527-A1 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) 2017-06-28 — — EP 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
CN-101801362-B Methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2014-01-22 — — CN 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
CN-101801362-A methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2010-08-11 — — CN 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 (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-20110151018-A1 METHODS OF INSECT CONTROL TRPA1, TRPV1, TRPV2 MAPK1 3546/4885CYP1A2 3278/4885RXFP1 2802/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPK1 3067/4885CYP1A2 1483/4885RXFP1 3119/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MAPK1 4386/4885CYP1A2 2431/4885RXFP1 611/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 MAPK1 1736/4885CYP1A2 4040/4885RXFP1 33/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MAPK1 4386/4885CYP1A2 2431/4885RXFP1 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.

Send feedback