SCHEMBL5584588

SCHEMBL5584588

COc1ccc(C2CC[N]CC2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.43
QDPR P09417 2/20 0.41
PDE4A P27815 6/20 0.40
PDE4B Q07343 5/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
DPP4 P27487 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SSTR4 P31391 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL16553704 0.88 QDPR (0.46) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL5541913 0.86 NR3C1 (0.59) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL172801 0.84 PDE4B (0.50) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL7723660 0.83 PDE4B (0.49) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL5584589 0.82 NR3C1 (0.42) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL2302109 0.80 HTR2C (0.40) QDPRDPP4SMN1; SMN2MAPT
SCHEMBL18664745 0.80 QDPR (0.48) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL5584591 0.80 HTR2C (0.55) QDPRPDE4BTLR9TLR7
SCHEMBL15314625 0.80 QDPR (0.48) NR3C1QDPRPDE4APDE4BPDE4C
SCHEMBL18640061 0.79 PDE4A (0.63) QDPRPDE4APDE4BPDE4CPDE4D

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 NR3C1 157/4885QDPR 214/4885PDE4A 921/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NR3C1 157/4885QDPR 214/4885PDE4A 921/4885

“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.