SCHEMBL2209377

SCHEMBL2209377

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)c2nc3ccccc3s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.52
MAOB P27338 2/20 0.52
FAAH O00519 1/20 0.51
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM1A O60341 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRNA7 P36544 1/20 0.43
CNR1 P21554 3/20 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
SCHEMBL2207993 1.00 LIPG (0.52) LIPGMAOBFAAHALDH1A1LMNA
SCHEMBL4711591 0.83 MAOB (0.60) MAOBFAAHALDH1A1LMNAL3MBTL1
SCHEMBL9531612 0.81 MAOB (0.57) MAOBALDH1A1LMNAL3MBTL1NPC1
SCHEMBL28975843 0.79 GPR119 (0.55) ALDH1A1LMNAL3MBTL1RAB9AHPGD
SCHEMBL30291360 0.79 GPR119 (0.55) ALDH1A1LMNAL3MBTL1RAB9AHPGD
SCHEMBL27849980 0.78 ALDH1A1 (0.56) MAOBFAAHALDH1A1LMNAL3MBTL1
SCHEMBL24130820 0.76 KDM1A (0.58) MAOBALDH1A1L3MBTL1KDM1ANPC1
SCHEMBL15223027 0.76 CHRM4 (0.52) ALDH1A1LMNANPC1RAB9AALOX15
SCHEMBL15221615 0.76 PDE10A (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2CNR1
SCHEMBL29874930 0.76 L3MBTL1 (0.43) LIPGMAOBALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981886-B2 Antibiotics derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-07-19 US disclosed
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP disclosed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 US disclosed
EP-1888574-A2 NEW ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-02-20 EP disclosed
WO-2006126171-A2 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-11-30 WO 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-20080280888-A1 Antibiotics Derivatives NR4A1, NR2C2, NR4A3 LIPG 4835/4885MAOB 1079/4885FAAH 2882/4885

“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.