SCHEMBL5584159

SCHEMBL5584159

Cc1cccc(C2=CC[N]CC2)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.35
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
P2RX7 Q99572 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
TLR8 Q9NR97 1/20 0.31
CYP19A1 P11511 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PARP1 P09874 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 1/20 0.30
HTR2C P28335 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
PRKDC P78527 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
SCHEMBL5045121 0.74 MAOA (0.31)
SCHEMBL5584218 0.72 NISCH (0.42) ALDH1A1ATMNISCHCYP11B2
SCHEMBL10950642 0.71 PTGS2 (0.45) NUDT1CNR2ALDH1A1
SCHEMBL1365380 0.71 NISCH (0.40) ALDH1A1NISCHPARP1
SCHEMBL5584119 0.71 PTGS2 (0.44) ALDH1A1
SCHEMBL7566975 0.69 HTR2C (0.53) ALDH1A1HTR2C
SCHEMBL26530979 0.69 PDCD1 (0.49) CNR2HTR2CPIK3CDPIK3CA
SCHEMBL31150675 0.68 NUDT1 (0.32) NUDT1CNR2TRPA1ATM
SCHEMBL30834716 0.67 TRPA1 (0.52) NUDT1CNR2ALDH1A1TRPA1ATM
SCHEMBL218508 0.67 TRPA1 (0.52) NUDT1CNR2ALDH1A1TRPA1ATM

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 NUDT1 1589/4885CNR2 733/4885ALDH1A1 443/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NUDT1 1589/4885CNR2 733/4885ALDH1A1 443/4885

“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.