SCHEMBL23844840

SCHEMBL23844840

CCCCCCCC(CCCCCCC)N1CC2CNCC2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA3 P32297 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ FDPS P14324 3/20 0.33
▸ GNAI3 P08754 3/20 0.33
▸ GNAO1 P09471 3/20 0.33
▸ GNAI1 P63096 3/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ DNM1 Q05193 1/20 0.31
▸ EBP Q15125 1/20 0.31
▸ SIGMAR1 Q99720 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
SCHEMBL23844581 1.00 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL21026709 0.92 CHRNA4 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL18625032 0.82 FDPS (0.36) FDPSLMNADNM1EBPSIGMAR1
SCHEMBL20746958 0.81 DNM1 (0.38) FDPSLMNADNM1EBPSIGMAR1
SCHEMBL23765262 0.79 FDPS (0.34) FDPSGNAI3GNAO1GNAI1LMNA
SCHEMBL13266447 0.78 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL22446849 0.78 GUSB (0.38) FDPSLMNAEBPSIGMAR1
SCHEMBL19975852 0.78 FDPS (0.37) FDPSGBA1LMNA
SCHEMBL18612534 0.78 GUSB (0.38) FDPSLMNAEBPSIGMAR1
SCHEMBL21210745 0.77 GNAO1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 — — 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-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 CHRNB2 2656/4885CHRNB4 2772/4885CHRNA3 2011/4885

“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.

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