SCHEMBL3063131

SCHEMBL3063131

CN1C[C@H]2CCN(c3ccc(N4CCN(c5cnccn5)CC4)cc3)[C@H]2C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.54
GPR119 Q8TDV5 1/20 0.54
KCNH2 Q12809 4/20 0.48
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44

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
SCHEMBL4697400 1.00 HRH3 (0.54) HRH3GPR119KCNH2DRD2DRD3
SCHEMBL3061109 0.86 HRH3 (0.61) HRH3GPR119KCNH2
SCHEMBL3058263 0.84 HRH3 (0.63) HRH3KCNH2DRD2DRD3
SCHEMBL3062935 0.82 HRH3 (0.60) HRH3KCNH2DRD2DRD3
SCHEMBL3048621 0.81 HRH3 (0.60) HRH3GPR119KCNH2
SCHEMBL3060025 0.79 HRH3 (0.66) HRH3GPR119KCNH2
SCHEMBL3060029 0.79 HRH3 (0.66) HRH3GPR119KCNH2
SCHEMBL3067701 0.78 HRH3 (0.55) HRH3GPR119KCNH2
SCHEMBL3057757 0.77 HRH3 (0.54) HRH3KCNH2DRD2DRD3
SCHEMBL3065520 0.77 HRH3 (0.54) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728031-B2 Octahydro-pyrrolo[3,4-b]pyrrole derivatives ABBOTT LABORATORIES (US) 2010-06-01 US claimed
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives ABBVIE INC. 2007-10-04 US claimed
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 HRH3 4/4885GPR119 528/4885KCNH2 689/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 HRH3 5/4885GPR119 541/4885KCNH2 697/4885

“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.