SCHEMBL14850271

SCHEMBL14850271

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.52
CYP2D6 P10635 4/20 0.52
KCNH2 Q12809 4/20 0.52
DRD2 P14416 1/20 0.39
EPHX1 P07099 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
USP30 Q70CQ3 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
GAA P10253 1/20 0.36
F2R P25116 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
SCHEMBL14850272 1.00 CACNA1H (0.52) CACNA1HCYP2D6KCNH2DRD2EPHX1
SCHEMBL14850300 0.92 CACNA1H (0.54) CACNA1HCYP2D6KCNH2DRD2EPHX1
SCHEMBL14850291 0.92 CACNA1H (0.54) CACNA1HCYP2D6KCNH2DRD2EPHX1
SCHEMBL14850299 0.92 CACNA1H (0.54) CACNA1HCYP2D6KCNH2DRD2EPHX1
SCHEMBL14850301 0.92 CACNA1H (0.50) CACNA1HCYP2D6KCNH2DRD2EPHX1
SCHEMBL14850302 0.92 CACNA1H (0.50) CACNA1HCYP2D6KCNH2DRD2EPHX1
SCHEMBL17354312 0.88 CACNA1H (0.53) CACNA1HCYP2D6KCNH2DRD2EPHX1
SCHEMBL17354314 0.88 CACNA1H (0.53) CACNA1HCYP2D6KCNH2DRD2EPHX1
SCHEMBL17354363 0.85 CACNA1H (0.55) CACNA1HCYP2D6KCNH2DRD2EPHX1
SCHEMBL17354308 0.85 CACNA1H (0.55) CACNA1HCYP2D6KCNH2DRD2EPHX1

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 5 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-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 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 (2 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT CACNA1H 4361/4885CYP2D6 993/4885KCNH2 3637/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CACNA1H 4361/4885CYP2D6 993/4885KCNH2 3637/4885

“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.