SCHEMBL12062249

SCHEMBL12062249

CC(C)(C)CCNC1CNC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH2 P25021 1/20 0.36
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
GNAI3 P08754 2/20 0.31
GNAO1 P09471 2/20 0.31
GNAI1 P63096 2/20 0.31
GBA1 P04062 1/20 0.30

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
SCHEMBL803995 0.80 GNAI3 (0.36) HRH4HRH3HRH2GNAI3GNAO1
SCHEMBL19709243 0.78 KCNH2 (0.37) KCNH2GBA1
SCHEMBL7893718 0.77 GNAI3 (0.53) HRH4HRH3HRH2KCNH2SIGMAR1
SCHEMBL13912964 0.76 RAD52 (0.41) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL12156771 0.76 RAD52 (0.37) GNAI3GNAO1GNAI1
SCHEMBL4661086 0.75
SCHEMBL3645463 0.74 RAD52 (0.44) HRH3SIGMAR1
SCHEMBL22030925 0.74
SCHEMBL23407882 0.73
Hydrochloric Acid SCHEMBL20912586 0.73 GNAI3 (0.44) HRH4HRH2KCNH2SIGMAR1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT HRH4 3383/4885HRH3 3537/4885HRH2 2142/4885

“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.