SCHEMBL5378900

SCHEMBL5378900

N[C@@H](Cc1ccccc1)[C@H](O)CNC1(Cc2cccc(Cl)c2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PNMT P11086 1/20 0.38
▸ TACR1 P25103 2/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ CSNK1E P49674 1/20 0.36
▸ DPP4 P27487 3/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ MASP2 O00187 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33

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
Hydrochloric Acid SCHEMBL5224811 0.99 LMNA (0.40) F2LMNAPNMTTACR1METAP2
SCHEMBL5383365 0.95 F2 (0.40) F2LMNAPNMTTACR1METAP2
Hydrochloric Acid SCHEMBL5224629 0.94 LMNA (0.42) F2LMNAPNMTTACR1METAP2
SCHEMBL5224179 0.80 CSNK1E (0.47) F2CSNK1ESIGMAR1
SCHEMBL5217768 0.79 KLK5 (0.52) CTSL
SCHEMBL5217764 0.79 KLK5 (0.52) CTSL
SCHEMBL5385780 0.78 CSNK1E (0.51) F2CSNK1ESIGMAR1
Hydrochloric Acid SCHEMBL5225719 0.77 CSNK1E (0.50) F2CSNK1E
SCHEMBL4693565 0.76 CSNK1E (0.46) F2CSNK1E
SCHEMBL4694678 0.76 MAPT (0.45) F2LMNAPNMTMETAP2CSNK1E

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-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 — — US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 — — 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 F2 4696/4885LMNA 1062/4885PNMT 6/4885

“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.

Send feedback