SCHEMBL29908655

SCHEMBL29908655

OC[C@]1(c2ccccc2)CCCN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.39
OPRL1 P41146 3/20 0.38
OPRM1 P35372 2/20 0.38
SLC6A9 P48067 1/20 0.38
HSD11B1 P28845 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
FFAR1 O14842 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CYP2B6 P20813 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PRCP P42785 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 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
SCHEMBL246216 1.00 CFB (0.39) CFBOPRL1OPRM1SLC6A9HSD11B1
SCHEMBL606912 1.00 CFB (0.39) CFBOPRL1OPRM1SLC6A9HSD11B1
SCHEMBL606913 1.00 CFB (0.39) CFBOPRL1OPRM1SLC6A9HSD11B1
SCHEMBL28282470 0.98 CFB (0.38) CFBOPRL1OPRM1SLC6A9HSD11B1
SCHEMBL9561702 0.98 CFB (0.38) CFBOPRL1OPRM1SLC6A9HSD11B1
Hydrochloric Acid SCHEMBL28274724 0.98 CFB (0.38) CFBOPRL1OPRM1SLC6A9HSD11B1
Hydrochloric Acid SCHEMBL8207460 0.98 CFB (0.38) CFBOPRL1OPRM1SLC6A9HSD11B1
Hydrochloric Acid SCHEMBL9257449 0.98 CFB (0.38) CFBOPRL1OPRM1SLC6A9HSD11B1
SCHEMBL27866641 0.98 CFB (0.38) CFBOPRL1OPRM1SLC6A9HSD11B1
SCHEMBL2190183 0.94 CFB (0.36) CFBOPRL1OPRM1SLC6A9HSD11B1

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-11453657-B2 Compounds for the treatment of parasitic infections GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-09-27 US disclosed
EP-3743419-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-09-14 EP 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-11453657-B2 Compounds for the treatment of parasitic infections PIGO, SGMS2, ABCB11 CFB 2140/4885OPRL1 3711/4885OPRM1 4067/4885

“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.