SCHEMBL3053649

SCHEMBL3053649

O=C(O)N1CC2CCN(c3ccc(-c4ccc(-n5ncccc5=O)cc4)cc3)C2C1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.72
KCNH2 Q12809 2/20 0.72
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL3047580 1.00 HRH3 (0.72) HRH3KCNH2CA12CA1CA2
SCHEMBL2409747 0.86 HRH3 (0.67) HRH3KCNH2HCRTR1HCRTR2
Abt-288 SCHEMBL3691125 0.84 HRH3 (1.00) HRH3KCNH2
Abt-288 SCHEMBL2406947 0.84 HRH3 (1.00) HRH3KCNH2
Abt-288 SCHEMBL2409486 0.84 HRH3 (1.00) HRH3KCNH2
Abt-288 SCHEMBL3048597 0.83 HRH3 (0.98) HRH3KCNH2
Abt-288 SCHEMBL3053619 0.82 HRH3 (0.83) HRH3KCNH2
Abt-288 SCHEMBL3047555 0.82 HRH3 (0.96) HRH3KCNH2
Abt-288 SCHEMBL3052867 0.81 HRH3 (0.81) HRH3KCNH2
SCHEMBL3062636 0.81 HRH3 (0.75) HRH3KCNH2

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
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
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives ABBVIE INC. 2007-10-04 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 HRH3 4/4885KCNH2 689/4885CA12 4340/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 HRH3 5/4885KCNH2 697/4885CA12 4283/4885

“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.