SCHEMBL5493941

SCHEMBL5493941

NC1(C(=O)O)CCC(NCc2cccc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.52
GRM3 Q14832 1/20 0.52
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 1/20 0.44
TACR1 P25103 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 1/20 0.42
CA2 P00918 1/20 0.42
P2RX7 Q99572 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MTNR1A P48039 1/20 0.40

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
SCHEMBL5497326 0.80 OPRM1 (0.54) GRM2GRM3MEN1KMT2AEPHX1
SCHEMBL2730868 0.79 ACHE (0.49) KMT2AEPHX1CA2
SCHEMBL5493230 0.78 DRD4 (0.50) GRM2SIGMAR1KDM4EEPHX1
SCHEMBL15492796 0.76 HTT (0.55) MEN1KMT2AKDM4EALDH1A1EPHX1
SCHEMBL10433983 0.75 KMT2A (0.57) MEN1KMT2AKDM4EALDH1A1EPHX1
Hydrochloric Acid SCHEMBL10433976 0.74 KMT2A (0.56) MEN1KMT2AKDM4EALDH1A1EPHX1
SCHEMBL1006286 0.73 SLC6A4 (0.54) KMT2ACA2
SCHEMBL5497334 0.71 GRM2 (0.43) GRM2GRM3MEN1KMT2ATDP1
SCHEMBL8973459 0.68 GRM2 (1.00) GRM2GRM3
SCHEMBL8972992 0.68 GRM2 (1.00) GRM2GRM3

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-7262163-B2 Short amphipathic peptides with activity against bacteria and intracellular pathogens BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2007-08-28 US disclosed
US-20040059088-A1 Short amphipathic peptides with activity against bacteria and intracellular pathogens MCLAUGHLIN MARK L (US) 2004-03-25 US disclosed
US-6566334-B1 For therapy of bacterial infection BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2003-05-20 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-20040059088-A1 Short amphipathic peptides with activity against bacteria and intracellular pathogens VIP, MDK, HM13 GRM2 4555/4885GRM3 4151/4885MEN1 2815/4885

“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.