SCHEMBL5585274

SCHEMBL5585274

COc1cccc2oc(C(=O)NN)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTSD P07339 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
KMT2A Q03164 4/20 0.49
CNR1 P21554 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
CNR2 P34972 1/20 0.49

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
SCHEMBL5584844 0.86 MAPT (0.49) HTTGAAKDM4EALDH1A1MAPT
SCHEMBL4810941 0.85 CA12 (0.52) HTTKDM4EALDH1A1MAPTRAB9A
SCHEMBL5584339 0.85 HTT (0.48) HTTKDM4EALDH1A1MAPTRAB9A
SCHEMBL5584421 0.84 HTT (0.48) HTTKDM4EALDH1A1MAPTRAB9A
SCHEMBL5584446 0.84 HTT (0.54) HTTKDM4EALDH1A1MAPTRAB9A
SCHEMBL913689 0.83 CA12 (0.54) HTTKDM4EALDH1A1MAPTRAB9A
SCHEMBL5584903 0.83 LMNA (0.59) HTTGAAKDM4EALDH1A1MAPT
SCHEMBL5584651 0.83 HTT (0.53) HTTKDM4EALDH1A1MAPTRAB9A
SCHEMBL5584760 0.83 CA12 (0.48) HTTKDM4EALDH1A1MAPTRAB9A
SCHEMBL3615970 0.82 CA12 (0.52) HTTKDM4EALDH1A1MAPTRAB9A

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 HTT 546/4885GAA 4054/4885KDM4E 610/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTT 546/4885GAA 4054/4885KDM4E 610/4885

“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.