SCHEMBL25801003

SCHEMBL25801003

[18F]CCC1C2CN(c3ccn4c(n3)nc3ccccc34)CC12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR3E A5X5Y0 4/20 0.33
HTR3B O95264 4/20 0.33
HTR3A P46098 4/20 0.33
HTR3D Q70Z44 4/20 0.33
HTR3C Q8WXA8 4/20 0.33
HTR1A P08908 3/20 0.33
HTR2C P28335 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE10A Q9Y233 1/20 0.32
LCK P06239 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CREBBP Q92793 1/20 0.32
PTPN1 P18031 2/20 0.31
PTPN2 P17706 1/20 0.31
HPGD P15428 1/20 0.31
CXCR4 P61073 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
SCHEMBL18053587 1.00 POLB (0.37) POLBALDH1A1NPSR1HTR3EHTR3B
SCHEMBL21133587 1.00 POLB (0.37) POLBALDH1A1NPSR1HTR3EHTR3B
SCHEMBL17274205 1.00 POLB (0.37) POLBALDH1A1NPSR1HTR3EHTR3B
SCHEMBL18053590 0.91 POLB (0.34) POLBALDH1A1NPSR1HTR3EHTR3B
SCHEMBL18053581 0.91 POLB (0.34) POLBALDH1A1NPSR1HTR3EHTR3B
SCHEMBL25801004 0.89 POLB (0.36) POLBALDH1A1NPSR1HTR3EHTR3B
SCHEMBL17274206 0.89 POLB (0.36) POLBALDH1A1NPSR1HTR3EHTR3B
SCHEMBL25800950 0.89 POLB (0.32) POLBHTR3EHTR3BHTR3AHTR3D
SCHEMBL17274204 0.88 HTR3E (0.36) POLBALDH1A1NPSR1HTR3EHTR3B
SCHEMBL25801001 0.88 HTR3E (0.36) POLBALDH1A1NPSR1HTR3EHTR3B

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 3748/4885ALDH1A1 1909/4885NPSR1 218/4885

“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.