SCHEMBL2409560

SCHEMBL2409560

CCOC(=O)N1CC2CCNC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.42
GAA P10253 2/20 0.41
JAK1 P23458 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.39
CHRM5 P08912 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 2/20 0.38
TSHR P16473 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 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
SCHEMBL3717069 0.87 LMNA (0.44) CHRM1JAK1ALDH1A1ATMCHRNB2
SCHEMBL8142365 0.83 CHRNB2 (0.56) JAK1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL8142362 0.83 CHRNB2 (0.56) JAK1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL20521057 0.82 PARP1 (0.36) JAK1L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL18909097 0.80 CHRNB2 (0.56) JAK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL23663758 0.79 NR1H2 (0.51) JAK1SMN1; SMN2
SCHEMBL1135431 0.79 NR1H2 (0.51) JAK1SMN1; SMN2
SCHEMBL22010186 0.79 NR1H2 (0.51) JAK1SMN1; SMN2
SCHEMBL4900183 0.79 NR1H2 (0.51) JAK1SMN1; SMN2
SCHEMBL1135376 0.79 NR1H2 (0.51) JAK1SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222358-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES ABBOTT LABORATORIES (US) 2010-09-02 US claimed
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives ABBVIE INC. 2007-10-04 US claimed
CN-112204037-A Novel oxoquinolizine compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-01-08 CN disclosed
US-8399468-B2 Octahydro-pyrrolo[3,4-B]pyrrole derivatives ABBOTT LABORATORIES (US) 2013-03-19 US disclosed
US-8026240-B2 Octahydro-pyrrolo[3,4-b]pyrrole N-oxides ABBOTT LABORATORIES (US) 2011-09-27 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
US-20090105267-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE N-OXIDES ABBOTT LABORATORIES (US) 2009-04-23 US disclosed
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives ABBVIE INC. 2007-10-04 US disclosed
US-5284855-A Broad-spectrum antibiotics; gramnegative and -positive bacteria, esp. Enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
US-5241076-A 1,4-diazatricyclo [6.3.0.0]undecanes BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
US-5202337-A Antibacterial agent, feed additive BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5177210-A Preparation of 2,7-diazabicyclo(3.3.0)octanes BAYER AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed
US-5071999-A Preparation of 2,7-diazabicyclo[3.3.0]octanes BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 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 (3 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 CHRM1 969/4885GAA 2612/4885JAK1 1599/4885
US-20090105267-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE N-OXIDES TACR1, HTR3A, OPRM1 CHRM1 300/4885GAA 2772/4885JAK1 2060/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 CHRM1 1044/4885GAA 2591/4885JAK1 1628/4885

“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.