SCHEMBL21579334

SCHEMBL21579334

CCCCCC(C)(CCCCC)OC1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 15/20 0.40
GNAI3 P08754 14/20 0.40
GNAI1 P63096 14/20 0.40
EPHX1 P07099 1/20 0.34
CHRM1 P11229 1/20 0.33
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
SCHEMBL19966917 0.98 GNAO1 (0.42) GNAO1GNAI3GNAI1EPHX1CCR2
SCHEMBL21881665 0.98 GNAO1 (0.39) GNAO1GNAI3GNAI1EPHX1CHRM1
SCHEMBL21880925 0.94 GNAO1 (0.37) GNAO1GNAI3GNAI1EPHX1CHRM1
SCHEMBL21880962 0.80 CNR1 (0.31)
SCHEMBL21881668 0.77 GNAO1 (0.40) GNAO1GNAI3GNAI1CHRM1
SCHEMBL24702211 0.74 ALDH1A1 (0.35)
SCHEMBL19184806 0.74
SCHEMBL19225687 0.73 GNAI3 (0.33) GNAO1GNAI3GNAI1
SCHEMBL19230311 0.72 ALDH1A1 (0.33)
SCHEMBL24648654 0.71 GNAI3 (0.32) GNAO1GNAI3GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 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 (3 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB GNAO1 644/4885GNAI3 376/4885GNAI1 307/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB GNAO1 644/4885GNAI3 376/4885GNAI1 307/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB GNAO1 644/4885GNAI3 376/4885GNAI1 307/4885

“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.