SCHEMBL9612239

SCHEMBL9612239

O=C(O)CCCCCN1CCN(c2ccccc2O)CCN(c2ccccc2O)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.68
HTR7 P34969 9/20 0.68
HTR1D P28221 4/20 0.68
HTR2C P28335 4/20 0.68
HTR2B P41595 4/20 0.68
HTR5A P47898 4/20 0.68
HTR6 P50406 4/20 0.68
HTR2A P28223 2/20 0.66
ADRA1B P35368 1/20 0.58
DRD2 P14416 3/20 0.56
ADRA1A P35348 2/20 0.54
DRD3 P35462 1/20 0.54
ADRA1D P25100 1/20 0.53

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
SCHEMBL18118440 0.88 HTR1A (0.62) HTR1AHTR7HTR1DHTR2CHTR2B
SCHEMBL4685410 0.85 MEN1 (0.60) HTR1AHTR7ADRA1BDRD2ADRA1A
SCHEMBL4938926 0.85 MEN1 (0.60) HTR1AHTR7ADRA1BDRD2ADRA1A
SCHEMBL3200957 0.83 HTR1A (0.62) HTR1AHTR7HTR1DHTR2CHTR2B
SCHEMBL4687871 0.83 DRD2 (0.58) HTR1AHTR7HTR5AHTR6HTR2A
SCHEMBL4935832 0.83 DRD2 (0.58) HTR1AHTR7HTR5AHTR6HTR2A
SCHEMBL5848982 0.82 KCNH2 (0.75) HTR1AHTR7HTR2ADRD2DRD3
SCHEMBL11030623 0.82 HTR1A (0.73) HTR1AHTR7HTR1DHTR2CHTR2B
SCHEMBL18010427 0.81 HTR7 (1.00) HTR1AHTR7HTR1DHTR2CHTR2B
SCHEMBL9612237 0.81 MPO (0.61) HTR1AHTR7HTR1DHTR2CHTR2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651411-B1 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS INC (US) 2020-09-16 EP disclosed
US-8758726-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-06-24 US disclosed
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-01-16 US disclosed
US-8545809-B2 Methods and compositions for improved 18F labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-10-01 US disclosed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 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 (2 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-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS HTR1A 4338/4885HTR7 4714/4885HTR1D 4109/4885
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS HTR1A 4338/4885HTR7 4714/4885HTR1D 4109/4885

“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.