SCHEMBL3059892

SCHEMBL3059892

O=C1CCC=NN1c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
APP P05067 3/20 0.36
ALDH1A1 P00352 3/20 0.35
ALOX12 P18054 1/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
MMP13 P45452 1/20 0.34
CES2 O00748 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PTGS2 P35354 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IDO1 P14902 1/20 0.32
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL16283581 0.78 GAA (0.43) GAAALDH1A1ALOX12FAAHMGLL
SCHEMBL10618445 0.78 POLB (0.46) GAAAPPALDH1A1ALOX12PTGS2
SCHEMBL9379275 0.75 POLB (0.30) POLB
SCHEMBL20703202 0.71 GAA (0.42) GAAAPPPTGS2SMN1; SMN2
SCHEMBL3053009 0.70 HRH3 (0.60) HRH3
SCHEMBL20703103 0.68 PDE3B (0.41) ALDH1A1RECQL
SCHEMBL8692580 0.68 HRH1 (0.41) FAAHMGLLCA1CA2
SCHEMBL8924477 0.68 CYP2D6 (0.32)
SCHEMBL8688176 0.67 ITGB3 (0.37) ALOX12
SCHEMBL6521596 0.67 GAA (0.66) GAAAPPALDH1A1RECQLSMN1; SMN2

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 GAA 2612/4885APP 2296/4885ALDH1A1 1558/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 GAA 2591/4885APP 2302/4885ALDH1A1 1623/4885

“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.