SCHEMBL5443586

SCHEMBL5443586

CCCc1c(C(N)=O)cc(N2CCCC2=O)c(NC(OC)c2ccccc2)c1OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ POLB P06746 3/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ADRB3 P13945 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32

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
SCHEMBL5431782 0.91 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C9POLBALDH1A1
SCHEMBL5429003 0.87 CYP1A2 (0.35) LMNACYP1A2CYP2D6CYP2C9POLB
SCHEMBL5434944 0.77 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C9LRRK2MAPK1
SCHEMBL5439200 0.73 CYP1A2 (0.33) CYP1A2CYP2D6CYP2C9POLBALDH1A1
SCHEMBL5434724 0.73 CYP1A2 (0.33) CYP1A2CYP2D6CYP2C9LRRK2TSHR
SCHEMBL5429108 0.73 LRRK2 (0.43) LMNACYP1A2CYP2C9POLBALDH1A1
SCHEMBL5434946 0.72 NPC1 (0.43) CYP1A2CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL5443590 0.69 CTSD (0.35) LMNAPOLBALDH1A1MAPTNPC1
SCHEMBL5426399 0.66 LRRK2 (0.32) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL5184629 0.66 HSD17B10 (0.38) CYP2C9POLBALDH1A1HPGDMAPT

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 LMNA 1062/4885CYP1A2 2757/4885CYP2D6 3963/4885

“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