SCHEMBL5584639

SCHEMBL5584639

c1cc2c(cc1C1CC[N]CC1)CCCO2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
DYRK1A Q13627 3/20 0.39
DYRK1B Q9Y463 2/20 0.39
CLK1 P49759 1/20 0.39
CTNNB1 P35222 6/20 0.38
WNT3A P56704 6/20 0.38
RIPK1 Q13546 1/20 0.37
CHRM5 P08912 2/20 0.36
PRKCI P41743 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DYRK3 O43781 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
DYRK2 Q92630 1/20 0.32

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
SCHEMBL5584893 0.91 DYRK1A (0.42) DYRK1ADYRK1BPRKCIDYRK2
SCHEMBL23653045 0.89 DYRK1A (0.43) NOTUMDYRK1ADYRK1BCLK1CTNNB1
SCHEMBL5584790 0.88 L3MBTL1 (0.36) NOTUMCTNNB1WNT3ARIPK1L3MBTL1
SCHEMBL5584643 0.82 QDPR (0.45) NOTUMDYRK1ADYRK1BCLK1CTNNB1
SCHEMBL5585084 0.79 HDAC4 (0.44) L3MBTL1
SCHEMBL10282948 0.79 PRKCI (0.47) DYRK1ADYRK1BCLK1PRKCICSNK2A2
SCHEMBL5584342 0.78 CYP1A2 (0.36) DYRK1A
SCHEMBL5585111 0.77 ALDH1A1 (0.35)
SCHEMBL15839854 0.76 L3MBTL1 (0.41) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL13061962 0.74 PRKCI (0.44) DYRK1ADYRK1BCLK1PRKCICSNK2A2

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 NOTUM 3844/4885DYRK1A 958/4885DYRK1B 1061/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NOTUM 3844/4885DYRK1A 958/4885DYRK1B 1061/4885

“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.