SCHEMBL2094939

SCHEMBL2094939

COC1CCC(CCNC(C)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.40
MTNR1B P49286 10/20 0.40
NQO2 P16083 5/20 0.40
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
DAO P14920 1/20 0.37
HTR2C P28335 3/20 0.36
CNR1 P21554 1/20 0.36
TSHR P16473 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34

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
SCHEMBL5392965 0.87
SCHEMBL9257155 0.81 EPHX2 (0.41) MTNR1AMTNR1BNQO2EPHX1KDM4E
SCHEMBL2091382 0.79 KDM4E (0.41) MTNR1AMTNR1BNQO2EPHX1KDM4E
SCHEMBL8392768 0.79 EPHX1 (0.52) MTNR1AMTNR1BNQO2EPHX1KDM4E
SCHEMBL6707040 0.79 EPHX1 (0.56) MTNR1AMTNR1BEPHX1KDM4EMAPK1
SCHEMBL931424 0.77 EPHX1 (0.59) EPHX1KDM4EMAPK1HIF1ATSHR
SCHEMBL8392277 0.77 EPHX1 (0.59) EPHX1KDM4EMAPK1HIF1ATSHR
SCHEMBL9259909 0.77 ITGB3 (0.36) MTNR1AMTNR1BNQO2EPHX1
SCHEMBL15250149 0.75 EPHX1 (0.38) MTNR1AMTNR1BNQO2EPHX1KDM4E
SCHEMBL8392280 0.75 KDM4E (0.56) MTNR1AMTNR1BNQO2KDM4EMAPK1

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 3 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
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 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 (1 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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MTNR1A 1034/4885MTNR1B 1170/4885NQO2 1933/4885

“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.