SCHEMBL13137461

SCHEMBL13137461

Cc1ccc(N2CC[C@@H]3CNC[C@@H]32)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.62
HTR2C P28335 6/20 0.57
HTR2A P28223 5/20 0.57
HTR2B P41595 5/20 0.57
CHRNB2 P17787 9/20 0.48
CHRNB4 P30926 9/20 0.48
CHRNA3 P32297 9/20 0.48
CHRNA4 P43681 9/20 0.48
ADRB1 P08588 1/20 0.42

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
SCHEMBL18452843 1.00 HRH3 (0.62) HRH3HTR2CHTR2AHTR2BCHRNB2
SCHEMBL13178304 0.85 HRH3 (0.61) HRH3HTR2CHTR2AHTR2BCHRNB2
SCHEMBL13178393 0.85 HRH3 (0.61) HRH3HTR2CHTR2AHTR2BCHRNB2
SCHEMBL18488412 0.85 HTR2C (0.68) HRH3HTR2CHTR2AHTR2BCHRNB2
SCHEMBL18452851 0.85 HTR2C (0.68) HRH3HTR2CHTR2AHTR2BCHRNB2
SCHEMBL6213136 0.84 HTR2C (0.68) HRH3HTR2CHTR2AHTR2BCHRNB2
SCHEMBL20463893 0.84 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21117803 0.84 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18451623 0.84 HRH3 (0.57) HRH3HTR2CHTR2AHTR2BCHRNB2
SCHEMBL18451630 0.83 HTR2C (0.70) HRH3HTR2CHTR2AHTR2BCHRNB2

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 4/4885HTR2C 121/4885HTR2A 231/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 HRH3 5/4885HTR2C 124/4885HTR2A 246/4885

“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.