SCHEMBL917902

SCHEMBL917902

CCCCCNC1CC2CCCC(C1)N2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.50
GNAO1 P09471 2/20 0.50
GNAI1 P63096 2/20 0.50
S1PR4 O95977 2/20 0.48
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
S1PR5 Q9H228 1/20 0.48
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 3/20 0.39
FUCA1 P04066 8/20 0.36
GBA1 P04062 2/20 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
SCHEMBL19969722 0.91 GNAI3 (0.56) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL1433258 0.78 GNAI3 (0.62) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL1932970 0.77 S1PR4 (0.66) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL28243190 0.77 GNAI3 (0.66) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL28207776 0.77 GNAI3 (0.66) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL21367529 0.77 GNAI3 (0.66) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL23139613 0.76 GNAI3 (0.50) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL3959388 0.74 GNAI3 (0.62) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL530708 0.74
SCHEMBL9801953 0.72 GNAI3 (0.66) GNAI3GNAO1GNAI1S1PR4S1PR1

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
EP-1934212-B1 9-AZABICYCLO [3 . 3 . 1]NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS MSD OSS BV (NL) 2013-02-20 EP disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
EP-1934212-A1 9-AZABICYCLO [3 . 3 . 1]NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. Organon (NL) 2008-06-25 EP disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039563-A1 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-04-12 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 (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-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives AZI2, TPMT, TET3 GNAI3 502/4885GNAO1 359/4885GNAI1 852/4885

“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.