SCHEMBL5584355

SCHEMBL5584355

Cn1c(C(=O)N2CCCC2)cc2c(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HTR1A P08908 5/20 0.47
SLC6A4 P31645 3/20 0.47
DRD4 P21917 5/20 0.45
DRD2 P14416 2/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL5584354 1.00 ALDH1A1 (0.49) ALDH1A1HPGDTSHRHTR1ASLC6A4
SCHEMBL14571524 0.91 ALDH1A1 (0.48) ALDH1A1HPGDTSHRHTR1ASLC6A4
SCHEMBL14571535 0.91 ALDH1A1 (0.48) ALDH1A1HPGDTSHRHTR1ASLC6A4
SCHEMBL5584772 0.90 DRD4 (0.50) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584768 0.90 DRD4 (0.50) HTR1ASLC6A4DRD4DRD2KCNH2
Hydrochloric Acid SCHEMBL5584274 0.90 ALDH1A1 (0.49) ALDH1A1HPGDTSHRHTR1ASLC6A4
Hydrochloric Acid SCHEMBL5584272 0.90 ALDH1A1 (0.49) ALDH1A1HPGDTSHRHTR1ASLC6A4
SCHEMBL5584594 0.88 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584898 0.88 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584597 0.88 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2

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 443/4885HPGD 2703/4885TSHR 1072/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885HPGD 2703/4885TSHR 1072/4885

“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.