SCHEMBL8880833

SCHEMBL8880833

CCCCCCNC1CCC(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.61
GNAO1 P09471 2/20 0.61
GNAI1 P63096 2/20 0.61
S1PR4 O95977 2/20 0.51
S1PR1 P21453 2/20 0.51
S1PR3 Q99500 2/20 0.51
S1PR5 Q9H228 1/20 0.45
GBA1 P04062 6/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
FUCA1 P04066 8/20 0.43

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
SCHEMBL21696335 1.00 GNAI3 (0.61) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL18977791 0.98 GNAI3 (0.58) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL13999315 0.91 GNAI3 (0.50) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL20746945 0.91 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL22462391 0.91 GNAI3 (0.48) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL24210534 0.91 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL31020849 0.91 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL9155873 0.91 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL17718458 0.91 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL1044920 0.91 GNAI3 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220040210-A1 CARBORANE COMPOUNDS, CARBORANE ANALOGS, AND METHODS OF USE THEREOF OHIO STATE INNOVATION FOUNDATION 2022-02-10 US disclosed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 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-20220040210-A1 CARBORANE COMPOUNDS, CARBORANE ANALOGS, AND METHODS OF USE THEREOF ESR2, ESRRB, ESRRA GNAI3 3319/4885GNAO1 516/4885GNAI1 2505/4885

“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.