SCHEMBL6042791

SCHEMBL6042791

COCCCCOc1cc(C(=O)NCCN2CCOCC2)ccc1C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.60
CYP2D6 P10635 2/20 0.60
LMNA P02545 1/20 0.58
POLB P06746 2/20 0.57
CYP2C19 P33261 2/20 0.56
TSHR P16473 1/20 0.56
CD274 Q9NZQ7 5/20 0.54
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HTR1A P08908 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
KCNH2 Q12809 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.50
BCL3 P20749 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL6043352 0.92 CYP2C9 (0.60) CYP2C9CYP2D6LMNAPOLBCYP2C19
SCHEMBL6042793 0.83 LMNA (0.53) LMNATSHRALDH1A1KDM4ETP53
SCHEMBL4410637 0.82 CYP2C9 (0.72) CYP2C9CYP2D6POLBCYP2C19TSHR
SCHEMBL6043609 0.80 KMT2A (0.53) LMNATSHRALDH1A1KDM4ETP53
SCHEMBL3543383 0.77 CYP2C9 (0.71) CYP2C9CYP2D6LMNAPOLBCYP2C19
SCHEMBL16234611 0.76 TSHR (0.71) CYP2C9CYP2D6LMNAPOLBCYP2C19
SCHEMBL28831617 0.76 CD274 (0.60) CYP2C9CYP2D6POLBCYP2C19TSHR
SCHEMBL6043918 0.76 MAPT (0.51) TSHRALDH1A1KDM4EKMT2AGAA
SCHEMBL26307601 0.76 CYP2C9 (1.00) CYP2C9CYP2D6LMNAPOLBCYP2C19
SCHEMBL19859010 0.76 TSHR (0.64) TSHRALDH1A1KDM4ETP53KMT2A

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 CYP2C9 2182/4885CYP2D6 1540/4885LMNA 1636/4885

“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.