SCHEMBL3058472

SCHEMBL3058472

CC(=O)c1cccc(-c2ccc(N3CC[C@@H]4CN(C)C[C@@H]43)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 1.00
KCNH2 Q12809 3/20 0.56
GRIA2 P42262 1/20 0.46

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
SCHEMBL3058680 0.88 HRH3 (1.00) HRH3KCNH2
SCHEMBL4754762 0.81 HRH3 (1.00) HRH3KCNH2
SCHEMBL3061002 0.81 HRH3 (0.69) HRH3KCNH2
SCHEMBL3067545 0.78 HRH3 (0.69) HRH3KCNH2
SCHEMBL3065534 0.78 HRH3 (1.00) HRH3KCNH2
SCHEMBL3053070 0.78 HRH3 (0.69) HRH3KCNH2GRIA2
SCHEMBL3057609 0.78 HRH3 (1.00) HRH3KCNH2
SCHEMBL3060692 0.77 HRH3 (0.76) HRH3KCNH2
SCHEMBL3052785 0.76 HRH3 (0.73) HRH3KCNH2
SCHEMBL3052784 0.76 HRH3 (0.73) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 689/4885GRIA2 551/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 HRH3 5/4885KCNH2 697/4885GRIA2 570/4885

“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.