SCHEMBL3067720

SCHEMBL3067720

CCOC(=O)N1CC2CC(C)NC2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.39
GAA P10253 3/20 0.37
TSHR P16473 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
CHRM5 P08912 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL9348777 0.82 CHRM1 (0.37) CHRM1GAATSHRCHRNB2CHRNB4
SCHEMBL14921285 0.80 NR1H2 (0.54) CHRM1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11538376 0.78 GAA (0.44) CHRM1GAATSHRALDH1A1KDM4E
SCHEMBL11538373 0.78 GAA (0.44) CHRM1GAATSHRALDH1A1KDM4E
SCHEMBL9045042 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21138276 0.77 NR1H2 (0.47) CHRM1GAATSHRCHRNB2CHRNB4
SCHEMBL21159381 0.77 NR1H2 (0.47) CHRM1GAATSHRCHRNB2CHRNB4
SCHEMBL2409560 0.73 CHRM1 (0.42) CHRM1GAATSHRCHRNB2CHRNB4
SCHEMBL19917155 0.72 ALDH1A1 (0.46) GAATSHRCHRNB2CHRNA4ALDH1A1
SCHEMBL8741027 0.72 TSHR (0.40) CHRM1GAATSHRCHRNB2CHRNB4

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 11 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
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 (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 CHRM1 969/4885GAA 2612/4885TSHR 477/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 CHRM1 1044/4885GAA 2591/4885TSHR 446/4885

“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.