SCHEMBL10178197

SCHEMBL10178197

Cn1c(=O)c2c(ncn2CC(=O)NCCc2nccn2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ ADORA2B P29275 1/20 0.60
▸ LMNA P02545 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ MAPK1 P28482 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ ALDH1A1 P00352 4/20 0.54
▸ PORCN Q9H237 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL15075667 0.91 LMNA (0.66) RXFP1SMN1; SMN2ADORA2BLMNAGAA
SCHEMBL20161764 0.87 CYP1A2 (0.71) RXFP1SMN1; SMN2ADORA2BLMNAGAA
SCHEMBL10178117 0.85 RXFP1 (0.63) RXFP1SMN1; SMN2ADORA2BLMNAGAA
SCHEMBL18166590 0.81 CYP1A2 (0.69) RXFP1SMN1; SMN2ADORA2BLMNAGAA
SCHEMBL18166663 0.81 CYP1A2 (0.71) RXFP1SMN1; SMN2ADORA2BLMNAGAA
SCHEMBL10113988 0.80 RXFP1 (0.62) RXFP1SMN1; SMN2ADORA2BLMNAGAA
SCHEMBL18166723 0.80 CYP1A2 (0.69) RXFP1SMN1; SMN2LMNAGAACYP1A2
SCHEMBL1065506 0.79 TP53 (0.64) RXFP1SMN1; SMN2LMNAGAACYP1A2
SCHEMBL18166647 0.79 CYP1A2 (0.66) RXFP1SMN1; SMN2ADORA2BLMNAGAA
SCHEMBL5462777 0.79 RXFP1 (0.78) RXFP1SMN1; SMN2ADORA2BLMNAGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 — — 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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 — — 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-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 — — US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 — — US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 — — US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 — — US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 — — 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-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RXFP1 1374/4885SMN1; SMN2 129/4885ADORA2B 176/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 RXFP1 824/4885SMN1; SMN2 914/4885ADORA2B 97/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 RXFP1 3119/4885SMN1; SMN2 1895/4885ADORA2B 1599/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RXFP1 1374/4885SMN1; SMN2 129/4885ADORA2B 176/4885

“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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