SCHEMBL3047607

SCHEMBL3047607

CN1C[C@H]2CCN(c3ccc(Cc4ccccc4)cc3)[C@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 1.00
KCNH2 Q12809 2/20 0.55
USP30 Q70CQ3 1/20 0.48

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
SCHEMBL10435096 0.87 HRH3 (0.82) HRH3KCNH2USP30
SCHEMBL4754762 0.84 HRH3 (1.00) HRH3KCNH2
SCHEMBL3054355 0.83 HRH3 (0.71) HRH3KCNH2
SCHEMBL13137505 0.83 HRH3 (0.71) HRH3KCNH2
SCHEMBL3058721 0.81 HRH3 (0.68) HRH3KCNH2
SCHEMBL3058888 0.81 HRH3 (1.00) HRH3KCNH2USP30
SCHEMBL13137465 0.81 HRH3 (0.77) HRH3KCNH2USP30
SCHEMBL3063128 0.80 HRH3 (0.71) HRH3KCNH2
SCHEMBL3067545 0.78 HRH3 (0.69) HRH3KCNH2USP30
SCHEMBL2410032 0.78 HRH3 (1.00) HRH3KCNH2USP30

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001885-A2 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES Abbott Laboratories (US) 2008-12-17 EP claimed
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives ABBVIE INC. 2007-10-04 US claimed
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 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
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 689/4885USP30 2843/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 HRH3 5/4885KCNH2 697/4885USP30 2821/4885

“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.