SCHEMBL6043243

SCHEMBL6043243

CNC(=O)c1ccc(C(=O)NC)c(OCCCCOC)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 6/20 0.48
PLK1 P53350 3/20 0.48
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR1A P08908 1/20 0.43
TP53 P04637 1/20 0.43
BRD4 O60885 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL6043239 0.92 SMPD1 (0.46) SMPD1PLK1BRD4MRGPRX4
SCHEMBL6042780 0.92 SMPD1 (0.46) SMPD1PLK1ALDH1A1HPGDTSHR
SCHEMBL13069056 0.82 TSHR (0.47) SMPD1PLK1ALDH1A1TSHRTP53
SCHEMBL6043918 0.81 MAPT (0.51) SMPD1ALDH1A1HPGDTSHRHTT
SCHEMBL6042337 0.80 PTPN11 (0.51) TSHRTP53
SCHEMBL8284766 0.80 ALDH1A1 (0.39) PLK1ALDH1A1HTT
SCHEMBL6043995 0.79 TSHR (0.47) TSHR
SCHEMBL22160237 0.79 PTPN11 (0.50) TSHR
SCHEMBL22160224 0.78 ALDH1A1 (0.51) ALDH1A1HPGDTSHRHTTSMN1; SMN2
SCHEMBL29217911 0.78 CA1 (0.50) SMPD1ALDH1A1HPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 SMPD1 83/4885PLK1 4847/4885ALDH1A1 1039/4885

“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.