SCHEMBL18034286

SCHEMBL18034286

CNC(=O)NCC(C)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
CYP1A2 P05177 1/20 0.42
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
FOLH1 Q04609 5/20 0.39

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
SCHEMBL5092791 0.80 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21750018 0.80 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5709309 0.79 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL27493146 0.78 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7507761 0.77 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28965022 0.77 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17030113 0.76 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7475723 0.75 EPHX1 (0.37) MAPTCYP2D6CYP2C19
SCHEMBL4919499 0.73 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL606666 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160242413-A1 POLYCATIONIC AMPHIPHILES AS ANTIMICROBIAL AGENTS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-08-25 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-20160242413-A1 POLYCATIONIC AMPHIPHILES AS ANTIMICROBIAL AGENTS C1R, CBR3, C9 GABRP 2062/4885GABRD 2852/4885GABRA1 2293/4885

“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.