SCHEMBL664455

SCHEMBL664455

CCC(C(N)=O)C1(OC)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.31
CYP3A4 P08684 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
ABCB11 O95342 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SCN1A P35498 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL664693 0.76 CHRM2 (0.35) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL17268633 0.70 MEN1 (0.30) LMNACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL14194173 0.69
SCHEMBL15345268 0.69
SCHEMBL11911645 0.66
SCHEMBL14935775 0.65
SCHEMBL26709792 0.65 EPHX1 (0.33)
SCHEMBL6062559 0.63 SLC6A3 (0.40)
Cyclobutyrol SCHEMBL312912 0.63 CHRM2 (0.36) LMNACHRM2CHRM4CHRM1CHRM3
Cyclohexane SCHEMBL4027710 0.63 ALDH1A1 (0.38) LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 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 (7 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 LMNA 594/4885CYP3A4 2741/4885CHRM2 4151/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 LMNA 819/4885CYP3A4 2805/4885CHRM2 746/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 LMNA 594/4885CYP3A4 2741/4885CHRM2 4151/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 LMNA 819/4885CYP3A4 2805/4885CHRM2 746/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 LMNA 904/4885CYP3A4 1812/4885CHRM2 234/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 LMNA 594/4885CYP3A4 2741/4885CHRM2 4151/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 LMNA 819/4885CYP3A4 2805/4885CHRM2 746/4885

“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.