SCHEMBL3414880

SCHEMBL3414880

CC(=O)NCCc1ccc(F)cc1OCCOC1CN(C(=O)O)CCC1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.38
MAOA P21397 4/20 0.38
MTNR1B P49286 6/20 0.38
MTNR1A P48039 5/20 0.38
KDM1A O60341 4/20 0.38
CHRM4 P08173 2/20 0.38
YAP1 P46937 2/20 0.38
REN P00797 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
GAA P10253 1/20 0.37
ACACB O00763 2/20 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
SCHEMBL3078010 0.93 MTNR1A (0.38) MTNR1BMTNR1ARENGAA
SCHEMBL3067279 0.92 YAP1 (0.42) MAOBMAOAYAP1
SCHEMBL3072274 0.91 CNR1 (0.34) MTNR1BMTNR1ARENGAA
SCHEMBL3071552 0.90 MTNR1A (0.38) MTNR1BMTNR1ARENGAA
SCHEMBL3059850 0.90 MTNR1A (0.42) MTNR1BMTNR1ARENGAA
SCHEMBL3072453 0.89 REN (0.49) MTNR1BMTNR1AREN
SCHEMBL3413716 0.85 ACACB (0.43) ACACB
SCHEMBL3070956 0.85 MTNR1B (0.44) MTNR1BMTNR1AREN
SCHEMBL3418040 0.85 REN (0.39) MTNR1BMTNR1ACHRM4RENPDCD1
SCHEMBL3078046 0.84 REN (0.49) MTNR1BMTNR1AREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 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-20090012055-A1 Organic compounds REN, ACE, ACE2 MAOB 43/4885MAOA 85/4885MTNR1B 1389/4885

“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.