SCHEMBL16499656

SCHEMBL16499656

O=C1CCCc2cc(OS(=O)(=O)C(F)(F)F)ncc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.40
MAOA P21397 14/20 0.40
PRKCI P41743 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM5 P41594 1/20 0.33
ULK1 O75385 1/20 0.33

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
SCHEMBL315565 0.77 MAOB (0.55) MAOBMAOAPRKCIGRM5
SCHEMBL7476195 0.75 MAOA (0.43) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL1471642 0.74 MAOB (0.55) MAOBMAOAPRKCIGRM5
SCHEMBL7501392 0.74 MEN1 (0.39) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL1513290 0.73 MAOA (0.53) MAOBMAOA
SCHEMBL13482122 0.72 MAOA (0.43) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL25489095 0.72 DRD2 (0.33)
SCHEMBL1815313 0.71 GRM5 (0.44) MAOBMAOAMEN1KMT2ANPSR1
SCHEMBL29600467 0.71 MAOA (0.38) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL24362492 0.71 MAOA (0.38) MAOBMAOAPRKCIMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2840076-B1 BICYCLIC COMPOUND TOA EIYO LTD (JP) 2017-10-25 EP disclosed
US-9290440-B2 Bicyclic compound TOA EIYO LTD. (JP) 2016-03-22 US disclosed
US-20150119418-A1 BICYCLIC COMPOUND TOA EIYO LTD. (JP) 2015-04-30 US disclosed
EP-2840076-A1 BICYCLIC COMPOUND TOA Eiyo Ltd. (JP) 2015-02-25 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 (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-20150119418-A1 BICYCLIC COMPOUND C1S, C1R, CYP11B2 MAOB 1357/4885MAOA 1829/4885PRKCI 4270/4885

“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.