SCHEMBL5584849

SCHEMBL5584849

Brc1ccccc1C1=CC[N]CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 4/20 0.33
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PBRM1 Q86U86 1/20 0.33
IDO1 P14902 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MPI P34949 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL1366838 0.78 NISCH (0.40) ALDH1A1MAPTTP53SMN1; SMN2IDO1
SCHEMBL1363866 0.78 CYP2A6 (0.38) ALDH1A1MAPTTP53SMN1; SMN2IDO1
SCHEMBL28547366 0.76 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTTP53SMN1; SMN2
SCHEMBL5584218 0.75 NISCH (0.42) ALDH1A1MAPK1MAPTTP53SMN1; SMN2
SCHEMBL240095 0.74 SIGMAR1 (0.42) ALDH1A1MAPK1SMN1; SMN2HPGDKDM4E
SCHEMBL3126401 0.73 ADRA1D (0.37) ALDH1A1MAPK1MAPTSMN1; SMN2HPGD
SCHEMBL5863208 0.71 PTGS2 (0.41) ALDH1A1MAPK1MAPTPBRM1IDO1
SCHEMBL5429263 0.68 DRD2 (0.57) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL4790160 0.67 HTR2C (0.61) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL4764267 0.67 MAPK14 (0.48) ALDH1A1MAPK1

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 ALDH1A1 443/4885MAPK1 163/4885MAPT 949/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885MAPK1 163/4885MAPT 949/4885

“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.