SCHEMBL9612237

SCHEMBL9612237

O=C(O)CCCCCN1CCN(Cc2ccccc2O)CCN(Cc2ccccc2O)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.61
FAAH O00519 1/20 0.53
HTR7 P34969 9/20 0.49
HTR1A P08908 5/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR1D P28221 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
HTR5A P47898 2/20 0.46
HTR6 P50406 2/20 0.46

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
SCHEMBL22421441 0.89 MPO (0.58) MPOFAAHHTR7HTR1AMEN1
SCHEMBL16731676 0.88 MPO (0.69) MPOFAAHHTR7HTR1AMEN1
SCHEMBL15290556 0.88 MPO (0.56) MPOFAAHHTR7HTR1AMEN1
SCHEMBL18118442 0.83 MPO (0.61) MPOFAAHHTR7HTR1AMEN1
SCHEMBL9612239 0.81 HTR1A (0.68) HTR7HTR1AHTR1DHTR2CHTR2B
SCHEMBL21043991 0.79 MPO (0.73) MPOFAAHKDM4EALDH1A1SIGMAR1
SCHEMBL3967782 0.78 MPO (1.00) MPOFAAHKMT2AKDM4EALDH1A1
SCHEMBL5848982 0.77 KCNH2 (0.75) HTR7HTR1ASIGMAR1
SCHEMBL8381328 0.76 CYP1A2 (0.65) MEN1KMT2AALDH1A1
SCHEMBL3088484 0.76 MPO (0.73) MPOFAAHMEN1KMT2AKDM4E

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 MPO 2525/4885FAAH 2884/4885HTR7 4714/4885
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS MPO 2525/4885FAAH 2884/4885HTR7 4714/4885

“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.