SCHEMBL23059321

SCHEMBL23059321

CCCCCC(C)(CCC)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 15/20 0.41
GNAI3 P08754 14/20 0.41
GNAI1 P63096 14/20 0.41
EPHX1 P07099 1/20 0.35
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CCR2 P41597 2/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CXCR4 P61073 1/20 0.31

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
SCHEMBL23745311 0.98 GNAO1 (0.43) GNAO1GNAI3GNAI1EPHX1CCR2
SCHEMBL25754972 0.94 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1CCR2
SCHEMBL21180109 0.94 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1CCR2
SCHEMBL20417319 0.94 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1CCR2
SCHEMBL18609539 0.94 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1CCR2
SCHEMBL19803483 0.94 GNAO1 (0.38) GNAO1GNAI3GNAI1EPHX1SLC6A2
SCHEMBL24246865 0.94 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1CCR2
SCHEMBL24435761 0.94 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1CCR2
SCHEMBL22224480 0.94 GNAO1 (0.42) GNAO1GNAI3GNAI1EPHX1SLC6A2
SCHEMBL22224479 0.92 GNAO1 (0.44) GNAO1GNAI3GNAI1EPHX1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 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 (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-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB GNAO1 1449/4885GNAI3 409/4885GNAI1 585/4885

“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.