SCHEMBL11939895

SCHEMBL11939895

COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCC[18F]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.78
▸ EBP Q15125 2/20 0.78
▸ TMEM97 Q5BJF2 1/20 0.78
▸ EBPL Q9BY08 1/20 0.69

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
[11C]Sa4503 SCHEMBL968642 0.88 SIGMAR1 (1.00) SIGMAR1EBPTMEM97EBPL
[11C]Sa4503 SCHEMBL29358558 0.88 SIGMAR1 (1.00) SIGMAR1EBPTMEM97EBPL
SCHEMBL1298738 0.87 SIGMAR1 (0.84) SIGMAR1EBPTMEM97EBPL
[11C]Sa4503 SCHEMBL1299046 0.87 SIGMAR1 (0.97) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL8088187 0.87 SIGMAR1 (0.97) SIGMAR1EBPTMEM97EBPL
[11C]Sa4503 SCHEMBL29358694 0.87 SIGMAR1 (0.97) SIGMAR1EBPTMEM97EBPL
SCHEMBL8083210 0.86 SIGMAR1 (0.95) SIGMAR1EBPTMEM97EBPL
SCHEMBL8086559 0.85 SIGMAR1 (0.92) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL8075024 0.84 SIGMAR1 (0.92) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL8086545 0.83 SIGMAR1 (0.90) SIGMAR1EBPTMEM97EBPL

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-11242314-B2 Synthesizing pet tracers using [F-18]sulfonyl fluoride as a source of [F-18]fluoride WASHINGTON UNIVERSITY (US) 2022-02-08 — — US disclosed
US-20130005956-A1 Synthesis of 18F-labeled Tracers in Hydrous Organic Solvents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-03 — — US disclosed
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 — — 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-11242314-B2 Synthesizing pet tracers using [F-18]sulfonyl fluoride as a source of [F-18]fluoride STX18, GPR119, SLC5A1 SIGMAR1 855/4885EBP 2361/4885TMEM97 237/4885
US-20130005956-A1 Synthesis of 18F-labeled Tracers in Hydrous Organic Solvents SLCO1B1, SLCO4C1, SLCO2B1 SIGMAR1 729/4885EBP 547/4885TMEM97 791/4885
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups TMEM14C, PAICS, QPCT SIGMAR1 2185/4885EBP 1415/4885TMEM97 981/4885

“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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