SCHEMBL25800950

SCHEMBL25800950

[18F]CCOCC[C@@H]1[C@H]2CN(c3ccn4c(n3)nc3ccccc34)C[C@@H]12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
HTR3E A5X5Y0 2/20 0.30
HTR3B O95264 2/20 0.30
HTR1A P08908 2/20 0.30
HTR2C P28335 2/20 0.30
HTR3A P46098 2/20 0.30
HTR3D Q70Z44 2/20 0.30
HTR3C Q8WXA8 2/20 0.30
CHRM1 P11229 1/20 0.30
HRH1 P35367 1/20 0.30
KCNH2 Q12809 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
SCHEMBL18053587 0.89 POLB (0.37) POLBHTR3EHTR3BHTR1AHTR2C
SCHEMBL25801003 0.89 POLB (0.37) POLBHTR3EHTR3BHTR1AHTR2C
SCHEMBL17274205 0.89 POLB (0.37) POLBHTR3EHTR3BHTR1AHTR2C
SCHEMBL21133587 0.89 POLB (0.37) POLBHTR3EHTR3BHTR1AHTR2C
SCHEMBL18053577 0.89 POLB (0.30) POLB
SCHEMBL18053590 0.85 POLB (0.34) POLBHTR3EHTR3BHTR1AHTR2C
SCHEMBL18053581 0.85 POLB (0.34) POLBHTR3EHTR3BHTR1AHTR2C
SCHEMBL17274204 0.85 HTR3E (0.36) POLBHTR3EHTR3BHTR1AHTR2C
SCHEMBL25801001 0.85 HTR3E (0.36) POLBHTR3EHTR3BHTR1AHTR2C
SCHEMBL17274206 0.83 POLB (0.36) POLBHTR3EHTR3BHTR1AHTR2C

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-20230218782-A1 IMAGING METHODS USING DEUTERATED COMPOUNDS GENENTECH, INC. (US) 2023-07-13 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-20230218782-A1 IMAGING METHODS USING DEUTERATED COMPOUNDS SLC10A1, SLC9B2, RXFP1 POLB 3748/4885HTR3E 1205/4885HTR3B 924/4885

“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.