SCHEMBL5585148

SCHEMBL5585148

CC(C)n1c(C(=O)N2CCCC2)cc2c(OCC(CN3CCC(c4ccc5ccccc5c4)CC3)OC(=O)/C=C\C(=O)OC(COc3cccc4c3cc(C(=O)N3CCCC3)n4C(C)C)CN3CCC(c4ccc5ccccc5c4)CC3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
SLC6A4 P31645 3/20 0.37
HTR1A P08908 3/20 0.37
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC18A3 Q16572 1/20 0.35
DRD4 P21917 3/20 0.35
DRD2 P14416 2/20 0.35
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
ABCB1 P08183 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14571535 0.89 ALDH1A1 (0.48) HRH3SLC6A4HTR1AHPGDTSHR
Fumaric Acid SCHEMBL5585149 0.88 ALDH1A1 (0.44) SLC6A4HTR1AHPGDTSHRALDH1A1
Maleic Acid SCHEMBL5585147 0.88 ALDH1A1 (0.44) SLC6A4HTR1AHPGDTSHRALDH1A1
Fumaric Acid SCHEMBL5585153 0.88 ALDH1A1 (0.44) SLC6A4HTR1AHPGDTSHRALDH1A1
SCHEMBL14571524 0.80 ALDH1A1 (0.48) HRH3SLC6A4HTR1AHPGDTSHR
SCHEMBL5584354 0.80 ALDH1A1 (0.49) HRH3SLC6A4HTR1AHPGDTSHR
SCHEMBL5584355 0.80 ALDH1A1 (0.49) HRH3SLC6A4HTR1AHPGDTSHR
SCHEMBL5584791 0.79 HTR1A (0.50) SLC6A4HTR1ADRD4DRD2
SCHEMBL5584788 0.79 HTR1A (0.50) SLC6A4HTR1ADRD4DRD2
Hydrochloric Acid SCHEMBL5584274 0.79 ALDH1A1 (0.49) HRH3SLC6A4HTR1AHPGDTSHR

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 HRH3 701/4885SLC6A4 10/4885HTR1A 1/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HRH3 701/4885SLC6A4 10/4885HTR1A 1/4885

“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.