SCHEMBL5584637

SCHEMBL5584637

O=C1NCc2cc(C3CC[N]CC3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.42
GRM5 P41594 4/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
DAPK3 O43293 1/20 0.40
NTRK1 P04629 1/20 0.40
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
ROCK1 Q13464 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
MKNK2 Q9HBH9 5/20 0.40
MKNK1 Q9BUB5 4/20 0.40
EIF4E P06730 1/20 0.40
PRKCI P41743 1/20 0.39
TBK1 Q9UHD2 1/20 0.37
BRAF P15056 1/20 0.37
EPHX2 P34913 1/20 0.36
PRF1 P14222 1/20 0.36

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
SCHEMBL30596592 0.83 QDPR (0.46) GSK3BGRM5CA12CA9DAPK3
SCHEMBL22048046 0.83 ESR2 (0.45) GSK3BGRM5CA12CA9DAPK3
SCHEMBL5584640 0.83 QDPR (0.46) GSK3BGRM5CA12CA9DAPK3
SCHEMBL14571695 0.81 QDPR (0.49) GSK3BGRM5CA12CA9DAPK3
SCHEMBL30596549 0.78 QDPR (0.42) GSK3BGRM5CA12CA9DAPK3
SCHEMBL30596562 0.78 QDPR (0.42) GSK3BGRM5CA12CA9DAPK3
SCHEMBL30596511 0.78 QDPR (0.42) GSK3BGRM5CA12CA9DAPK3
SCHEMBL31749306 0.77 CYP2D6 (0.46) GSK3BGRM5CA12CA9DAPK3
SCHEMBL1431861 0.73 PARP10 (0.58) GSK3BGRM5
SCHEMBL30543350 0.71 NTRK2 (0.46) GSK3BCA12CA9NTRK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A GSK3B 1336/4885GRM5 35/4885CA12 4877/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A GSK3B 1336/4885GRM5 35/4885CA12 4877/4885

“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.