SCHEMBL13178306

SCHEMBL13178306

O=C(O)N1C[C@H]2CCN(c3ccc(I)cc3)[C@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.46
USP30 Q70CQ3 1/20 0.43
KCNH2 Q12809 2/20 0.39
AKR1C3 P42330 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
SCHEMBL13178305 1.00 HRH3 (0.46) HRH3USP30KCNH2AKR1C3
SCHEMBL9791042 0.87 USP30 (0.56) HRH3USP30
SCHEMBL3066001 0.86 HRH3 (0.61) HRH3USP30KCNH2
SCHEMBL3066196 0.82 HRH3 (0.64) HRH3USP30KCNH2
SCHEMBL7688783 0.78 CHRNB2 (0.49) HRH3AKR1C3
SCHEMBL6782940 0.78 CHRNB2 (0.49) HRH3AKR1C3
SCHEMBL3579848 0.78 CHRNB2 (0.49) HRH3AKR1C3
SCHEMBL3580915 0.78 CHRNB2 (0.49) HRH3AKR1C3
SCHEMBL25389887 0.76 NOTUM (0.43) HRH3USP30AKR1C3
SCHEMBL25390318 0.76 HRH3 (0.52) HRH3USP30KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 4/4885USP30 2843/4885KCNH2 689/4885

“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.