SCHEMBL5584790

SCHEMBL5584790

c1cc2c(cc1C1CC[N]CC1)OCCC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
HTR1D P28221 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 3/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
RIPK1 Q13546 1/20 0.32
NOTUM Q6P988 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
KDM4C Q9H3R0 2/20 0.32
PIR O00625 1/20 0.31
HSF1 Q00613 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL5584342 0.91 CYP1A2 (0.36) ESR1ESR2
SCHEMBL15839854 0.89 L3MBTL1 (0.41) L3MBTL1HTR1DHTR2CKCNH2CTNNB1
SCHEMBL5584639 0.88 NOTUM (0.40) L3MBTL1CTNNB1WNT3ARIPK1NOTUM
SCHEMBL5584630 0.82 QDPR (0.45) L3MBTL1HTR2C
SCHEMBL5585084 0.79 HDAC4 (0.44) L3MBTL1
SCHEMBL5584893 0.78 DYRK1A (0.42)
SCHEMBL11480538 0.78 EPHX2 (0.40) L3MBTL1KDM4C
SCHEMBL5585111 0.77 ALDH1A1 (0.35)
SCHEMBL23653045 0.76 DYRK1A (0.43) L3MBTL1CTNNB1WNT3ARIPK1NOTUM
SCHEMBL5585028 0.72 ALDH1A1 (0.50)

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 L3MBTL1 4295/4885HTR1D 2/4885HTR2C 9/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A L3MBTL1 4295/4885HTR1D 2/4885HTR2C 9/4885

“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.