SCHEMBL3405870

SCHEMBL3405870

C=CCc1cccc2ccc(OC)nc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.52
MTNR1B P49286 12/20 0.52
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HTT P42858 1/20 0.36

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
SCHEMBL14400281 0.80 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL3407813 0.79 MAPT (0.38) MTNR1AMTNR1BMAPTLMNAGAA
SCHEMBL30003079 0.79 MTNR1A (0.56) MTNR1AMTNR1BLMNASMN1; SMN2MEN1
SCHEMBL28892601 0.79 MTNR1A (0.56) MTNR1AMTNR1BLMNASMN1; SMN2MEN1
SCHEMBL31332052 0.76 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL3791205 0.76 KCNH2 (0.39) MAPTLMNAGAAMAPK1SMN1; SMN2
SCHEMBL1712327 0.76 MTNR1A (0.43) MTNR1AMTNR1BMAPTLMNAGAA
Hydrochloric Acid SCHEMBL20561917 0.75 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL2819464 0.74 PTGS2 (0.44) MTNR1AMTNR1BMAPTLMNAGAA
SCHEMBL31331960 0.74 MTNR1A (0.58) MTNR1AMTNR1B

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-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 MTNR1A 331/4885MTNR1B 1000/4885MAPT 4088/4885

“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.