SCHEMBL2092981

SCHEMBL2092981

CC(=O)NCCC1CN2CCC1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.41
▸ CHRM1 P11229 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CHRNA7 P36544 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33

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
SCHEMBL28504815 0.73 CHRM2 (0.49) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL12506844 0.73 CHRM2 (0.47) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL25607288 0.73 CHRM2 (0.47) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL13617347 0.70 CHRNA7 (0.39) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL7324063 0.70 CHRNA7 (0.39) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL12663106 0.70 CHRNA4 (0.40) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL8935448 0.70 CHRM2 (0.41) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL14027182 0.69 CHRNA7 (0.42) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL21573624 0.69 CHRNA7 (0.42) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL2607983 0.69 CHRNA7 (0.42) CHRM2CHRM1MEN1CYP2D6KMT2A

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 CHRM2 4151/4885CHRM1 3983/4885MEN1 1785/4885

“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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