SCHEMBL17485873

SCHEMBL17485873

CC(C)NC(=O)N[C@@H]1CCN(CCCN)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
HRH2 P25021 6/20 0.40
HRH1 P35367 6/20 0.40
SMYD3 Q9H7B4 1/20 0.40
EPHX1 P07099 3/20 0.38
EPHX2 P34913 3/20 0.38
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CYP2D6 P10635 2/20 0.35
CACNA1H O95180 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL25570021 0.85 EPHX2 (0.48) KDM5AEPHX1EPHX2HPGDALDH1A1
SCHEMBL17354490 0.85 SMYD3 (0.42) KDM5AHRH2HRH1SMYD3EPHX1
SCHEMBL25567971 0.85 KDM5A (0.43) KDM5AEPHX1EPHX2GLAHPGD
SCHEMBL25567977 0.85 KDM5A (0.43) KDM5AEPHX1EPHX2GLAHPGD
SCHEMBL14853439 0.85 SMYD3 (0.42) KDM5AHRH2HRH1SMYD3EPHX1
SCHEMBL19719305 0.82 SMYD3 (0.42) HRH2HRH1SMYD3EPHX1EPHX2
SCHEMBL14850302 0.81 CACNA1H (0.50) HRH2HRH1SMYD3EPHX1EPHX2
SCHEMBL14850301 0.81 CACNA1H (0.50) HRH2HRH1SMYD3EPHX1EPHX2
SCHEMBL14059 0.80 LTA4H (0.48) HRH2HRH1SMYD3EPHX1EPHX2
SCHEMBL14853442 0.80 LTA4H (0.48) HRH2HRH1SMYD3EPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 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 (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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KDM5A 3601/4885HRH2 2142/4885HRH1 2649/4885

“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.