SCHEMBL21101264

SCHEMBL21101264

CN(C)CCOC1CCC(C2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
ATP1A1 P05023 6/20 0.34
ATP1B1 P05026 6/20 0.34
ATP1A3 P13637 6/20 0.34
ATP1B2 P14415 6/20 0.34
ATP1A2 P50993 6/20 0.34
ATP1B3 P54709 6/20 0.34
FXYD2 P54710 6/20 0.34
ATP1A4 Q13733 6/20 0.34
CARM1 Q86X55 2/20 0.34
PRMT1 Q99873 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
RET P07949 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.31
HCRTR2 O43614 1/20 0.30

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
SCHEMBL23596215 0.96 RET (0.33) NPC1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL31495554 0.87
SCHEMBL8376331 0.85 NPC1 (0.47) NPC1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12832331 0.83 NPC1 (0.39) NPC1SIGMAR1RETALDH1A1
SCHEMBL11959195 0.79 ALDH1A1 (0.36) RETALDH1A1
SCHEMBL8263033 0.79 ALDH1A1 (0.36) RETALDH1A1
SCHEMBL5004352 0.78 RET (0.33) RET
SCHEMBL5004351 0.78 RET (0.33) RET
Hydrochloric Acid SCHEMBL4280280 0.76 RET (0.33) RET
Hydrochloric Acid SCHEMBL4280283 0.76 RET (0.33) RET

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-11806409-B2 Imaging methods using 18F-radiolabeled biologics BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-07 US disclosed
US-20220001040-A1 NOVEL PD-L1 BINDING POLYPEPTIDES FOR IMAGING BRISTOL-MYERS SQUIBB COMPANY 2022-01-06 US disclosed
US-20190184043-A1 IMAGING METHODS USING 18F-RADIOLABELED BIOLOGICS BRISTOL-MYERS SQUIBB COMPANY 2019-06-20 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-20190184043-A1 IMAGING METHODS USING 18F-RADIOLABELED BIOLOGICS FAP, FUCA1, FGF23 NPC1 3232/4885ATP1A1 3806/4885ATP1B1 3656/4885
US-20220001040-A1 NOVEL PD-L1 BINDING POLYPEPTIDES FOR IMAGING PDCD10, PDCD1LG2, CD274 NPC1 3869/4885ATP1A1 4577/4885ATP1B1 4520/4885
US-11806409-B2 Imaging methods using 18F-radiolabeled biologics FCGRT, FAP, FUCA1 NPC1 3154/4885ATP1A1 3780/4885ATP1B1 3668/4885

“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.