SCHEMBL5584487

SCHEMBL5584487

CC1(C)Cc2cc(C3CC[N]CC3)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
IRAK4 Q9NWZ3 5/20 0.34
HIF1A Q16665 4/20 0.33
EPAS1 Q99814 4/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 2/20 0.32
KCNH2 Q12809 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SSTR5 P35346 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8632438 0.81 ESR2 (0.41) CTSDBACE1HIF1AEPAS1MAPT
SCHEMBL5584168 0.75 DHFR (0.39) HTR2A
SCHEMBL5585222 0.74 HTR2A (0.38) HTR2A
SCHEMBL4733990 0.72 TSHR (0.38) IRAK4HIF1AEPAS1MAPTHTR2A
SCHEMBL5584762 0.72 TDP1 (0.47) MAPTKDM4EALDH1A1GAA
SCHEMBL5584893 0.71 DYRK1A (0.42) MAPT
SCHEMBL3544492 0.71 NOTUM (0.44) CTSDBACE1KCNH2PIK3CDPIK3CB
SCHEMBL14571689 0.71 QDPR (0.49) CTSDBACE1IRAK4HTR2A
SCHEMBL8633715 0.70
SCHEMBL5584611 0.70 MTNR1A (0.32) MAPT

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 CTSD 4599/4885BACE1 3547/4885IRAK4 4723/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CTSD 4599/4885BACE1 3547/4885IRAK4 4723/4885

“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.