SCHEMBL5584339

SCHEMBL5584339

COc1cccc2oc(C(=O)NNC(C)=O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
KMT2A Q03164 5/20 0.46
CYP2A6 P11509 1/20 0.46
DUSP3 P51452 1/20 0.44
PTPN11 Q06124 1/20 0.44
MEN1 O00255 2/20 0.43
CNR1 P21554 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
POLB P06746 2/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL5584691 0.87 CA12 (0.45) HTTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5584421 0.86 HTT (0.48) HTTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5584584 0.85 HTT (0.45) HTTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5585274 0.85 HTT (0.54) HTTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5584903 0.83 LMNA (0.59) HTTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL14571517 0.82 GAA (0.50) HTTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5584615 0.82 NPC1 (0.51) HTTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4810941 0.81 CA12 (0.52) HTTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL913689 0.80 CA12 (0.54) HTTRAB9ANPC1L3MBTL1CA12
SCHEMBL5584760 0.80 CA12 (0.48) HTTRAB9ANPC1SMN1; SMN2L3MBTL1

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 8 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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
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 HTT 546/4885RAB9A 2487/4885NPC1 2906/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTT 546/4885RAB9A 2487/4885NPC1 2906/4885

“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.