SCHEMBL21348729

SCHEMBL21348729

CCCC(CC)CCCN1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.43
GNAO1 P09471 5/20 0.39
GNAI3 P08754 4/20 0.39
GNAI1 P63096 4/20 0.39
SIGMAR1 Q99720 4/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SOD3 P08294 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL27811670 0.89 POLB (0.38) CXCR4GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL17526835 0.88 CXCR4 (0.40) CXCR4GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL17526564 0.88 CXCR4 (0.40) CXCR4GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL17526735 0.88 CXCR4 (0.42) CXCR4GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL17526641 0.88 CXCR4 (0.42) CXCR4GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL15187302 0.86 LMNA (0.41) CXCR4GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL15187305 0.86 LMNA (0.41) CXCR4GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL17524044 0.85 CXCR4 (0.40) CXCR4GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL17524042 0.85 CXCR4 (0.40) CXCR4GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL9236820 0.84 GNAO1 (0.47) CXCR4GNAO1GNAI3GNAI1SIGMAR1

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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R CXCR4 181/4885GNAO1 1401/4885GNAI3 112/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R CXCR4 181/4885GNAO1 1401/4885GNAI3 112/4885

“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.