SCHEMBL5584576

SCHEMBL5584576

Cc1cc(C)c(C2CC[N]CC2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.34
UGT2B17 O75795 2/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 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
SCHEMBL3692441 0.84 UGT2B17 (0.38) PSMB5UGT2B17HTR7HTR2BTMEM97
SCHEMBL8004809 0.79 PSMB5 (0.44) PSMB5UGT2B17HTR7HTR2BTMEM97
SCHEMBL2716393 0.78 MAP3K14 (0.39) HTR2BALDH1A1
SCHEMBL2724194 0.77 PSMB5 (0.47) PSMB5UGT2B17KDM4ELMNAGAA
SCHEMBL1452171 0.77 PSMB5 (0.47) PSMB5UGT2B17KDM4ELMNAGAA
SCHEMBL5584599 0.76 HTR2C (0.37) ALDH1A1
SCHEMBL24723271 0.74 DAO (0.36) PSMB5UGT2B17HTR7HTR2BTMEM97
SCHEMBL5546531 0.74 HTR2C (0.48) HTR7HTR2BTMEM97SIGMAR1MAPT
SCHEMBL5543574 0.74 GRM7 (0.39) PSMB5ALDH1A1MEN1KMT2A
SCHEMBL14571692 0.72 QDPR (0.42)

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 PSMB5 1411/4885UGT2B17 704/4885HTR7 13/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A PSMB5 1411/4885UGT2B17 704/4885HTR7 13/4885

“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.