SCHEMBL3946253

SCHEMBL3946253

CN1CCN(CCN2CCNC2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL21975820 0.87 HTR2A (0.41) HTR2ARAB9AKMT2A
SCHEMBL613873 0.84 HTR2A (0.43) HTR2A
SCHEMBL13236669 0.83 ALDH1A1 (0.50) RAB9AKMT2A
SCHEMBL4180905 0.83 HTR2A (0.40) HTR2A
SCHEMBL8406068 0.83 ALOX15 (0.48) HTR2A
SCHEMBL26098509 0.82 DAO (0.46) HTR2A
SCHEMBL2949018 0.82 POLB (0.44) HTR2A
SCHEMBL26711932 0.81 HTR2A (0.41) HTR2A
SCHEMBL24530426 0.80 HTR2A (0.39) HTR2A
SCHEMBL24530431 0.77 RAB9A (0.39) HTR2ARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 HTR2A 4276/4885NPSR1 529/4885RAB9A 3441/4885

“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.