SCHEMBL2208553

SCHEMBL2208553

O=C(c1nc2ccccc2s1)C1CCC(NC(C2=CC=CCC2)C2=COC=CO2)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.36
MAOB P27338 1/20 0.36
CNR2 P34972 1/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
FAAH O00519 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2205340 0.88 TP53 (0.33) GAAALOX15TSHRRAB9ANPC1
SCHEMBL2207953 0.87 MAOA (0.34) MAOBALOX15RAB9ANPC1ALDH1A1
SCHEMBL2204317 0.86 DYRK1A (0.33) GAARAB9ANPC1ALDH1A1TP53
SCHEMBL2203680 0.80 CHRM4 (0.45) GAATSHRALDH1A1TP53MAPT
SCHEMBL5261734 0.80
SCHEMBL622081 0.77
SCHEMBL7473556 0.75
SCHEMBL622307 0.73
SCHEMBL2208293 0.72 ALDH1A1 (0.33) GAAALDH1A1TP53MAPT
SCHEMBL9531612 0.69 MAOB (0.57) CNR1MAOBCNR2CYP1A2GAA

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
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP claimed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 US claimed
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

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 CNR1 173/4885MAOB 1079/4885CNR2 418/4885

“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.