SCHEMBL13506366

SCHEMBL13506366

O=C1CCOc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.58
MAOB P27338 16/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAOA P21397 1/20 0.54

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
SCHEMBL30966001 0.92 GRM5 (0.53) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL30966000 0.89 GRM5 (0.50) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL12316591 0.88 GRM5 (0.45) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL13506182 0.81 MAOB (0.63) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL551972 0.81 MAOB (0.55) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL20554219 0.80 MAOB (0.52) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL30132637 0.80 MAOB (0.52) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL14481253 0.80 KCNH2 (0.54) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL67621 0.80 MAOB (0.60) GRM5MAOBNPC1ALDH1A1HPGD
Cyclopropane SCHEMBL28516873 0.78 MAOB (0.59) GRM5MAOBNPC1ALDH1A1HPGD

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-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
WO-2013096223-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 US disclosed
US-20130029978-A1 NOVEL ARYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. 2013-01-31 US disclosed
EP-2518064-A1 NOVEL ARYL UREA DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP 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-20130029978-A1 NOVEL ARYL UREA DERIVATIVE FAAH, FAAH2, NAT1 GRM5 4254/4885MAOB 226/4885NPC1 1706/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 GRM5 200/4885MAOB 990/4885NPC1 784/4885

“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.