SCHEMBL6043598

SCHEMBL6043598

[CH2]CC(=O)N1CCSCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
PHGDH O43175 1/20 0.43
MGLL Q99685 1/20 0.43
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
DPP7 Q9UHL4 4/20 0.35
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP4 P27487 4/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 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
SCHEMBL4160072 0.86
SCHEMBL6044009 0.82 ALDH1A1 (0.41) FAAHPHGDHMGLLHPGDALDH1A1
SCHEMBL6945624 0.79 ALDH1A1 (0.43) FAAHPHGDHMGLLHPGDALDH1A1
SCHEMBL9433090 0.79 ATM (0.48) FAAHPHGDHMGLLHPGDALDH1A1
SCHEMBL13187893 0.78 FAAH (0.44) FAAHPHGDHMGLLHPGDALDH1A1
SCHEMBL206420 0.77
SCHEMBL6050166 0.77
SCHEMBL9125390 0.77 L3MBTL1 (0.46) FAAHPHGDHMGLLHPGDALDH1A1
SCHEMBL6557070 0.76 ALDH1A1 (0.52) FAAHPHGDHMGLLHPGDALDH1A1
SCHEMBL9415600 0.76 ATM (0.56) FAAHPHGDHMGLLHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US claimed
US-6844366-B2 Sulfonamide hydroxamates SYNTEX (U.S.A.) LLC (US) 2005-01-18 US claimed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 WO claimed
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
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 WO 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-0515420-B1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1996-06-12 EP 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
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US disclosed
EP-0515420-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1992-12-02 EP disclosed
WO-1991012230-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1991-08-22 WO disclosed
US-4410530-A CARDIO-SELECTIVE B-RECEPTOR BLOCKING AGENTS AND STIMULANTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
US-4195090-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1980-03-25 US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 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 (2 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 FAAH 75/4885PHGDH 1129/4885MGLL 849/4885
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis CASP3, BAX, BAD FAAH 3737/4885PHGDH 1059/4885MGLL 4191/4885

“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.