SCHEMBL3060730

SCHEMBL3060730

FC(F)(F)Oc1cc(Br)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALPL P05186 3/20 0.40
HRH4 Q9H3N8 2/20 0.39
ALOX15 P16050 2/20 0.38
ALOX12 P18054 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL31373430 1.00 MAPK1 (0.41) MAPK1ALDH1A1TDP1L3MBTL1MAOA
SCHEMBL4704298 0.84 MAPK1 (0.43) MAPK1ALDH1A1TDP1L3MBTL1MAOA
SCHEMBL31466253 0.83 MAPK1 (0.39) MAPK1ALDH1A1TDP1L3MBTL1MAOA
SCHEMBL30010427 0.81 MAOA (0.43) MAPK1ALDH1A1TDP1L3MBTL1MAOA
SCHEMBL1337181 0.81 MAOA (0.43) MAPK1ALDH1A1TDP1L3MBTL1MAOA
SCHEMBL1337233 0.81 GPR3 (0.40) HRH4SLC6A4EPHX2
SCHEMBL25348101 0.79 MAOA (0.40) MAPK1ALDH1A1TDP1L3MBTL1MAOA
SCHEMBL10874147 0.79 EPAS1 (0.40) MAPK1TDP1L3MBTL1ALPLTSHR
SCHEMBL1416864 0.79 NOTUM (0.43) MAPK1ALDH1A1TDP1L3MBTL1MAOA
SCHEMBL1978168 0.79 MAOB (0.36) MAPK1ALDH1A1MAOAMAOBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399468-B2 Octahydro-pyrrolo[3,4-B]pyrrole derivatives ABBOTT LABORATORIES (US) 2013-03-19 US disclosed
US-20100222358-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES ABBOTT LABORATORIES (US) 2010-09-02 US disclosed
US-7728031-B2 Octahydro-pyrrolo[3,4-b]pyrrole derivatives ABBOTT LABORATORIES (US) 2010-06-01 US disclosed
EP-2001885-A2 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES Abbott Laboratories (US) 2008-12-17 EP disclosed
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives ABBVIE INC. 2007-10-04 US disclosed
WO-2007100990-A2 OCTAHYDRO-PYRROLO[3,4-B] PYRROLE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-09-07 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 (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-20100222358-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES HRH4, HRH2, TAC3 MAPK1 3504/4885ALDH1A1 1558/4885TDP1 2659/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 MAPK1 3578/4885ALDH1A1 1623/4885TDP1 2712/4885

“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.