SCHEMBL5584259

SCHEMBL5584259

O=C(c1cc2cccc(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)c2o1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNH2 Q12809 2/20 0.45
ABCB1 P08183 8/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5584544 1.00 POLB (0.52) POLBSMN1; SMN2CYP1A2CYP2C19KCNH2
SCHEMBL5584282 0.89 CYP1A2 (0.51) POLBSMN1; SMN2CYP1A2CYP2C19KCNH2
SCHEMBL5584976 0.89 CYP1A2 (0.51) POLBSMN1; SMN2CYP1A2CYP2C19KCNH2
SCHEMBL5584319 0.88 KCNH2 (0.51) KCNH2ABCB1
SCHEMBL5584484 0.85 KCNH2 (0.46) KCNH2ABCB1ADRB2ADRB1ADRB3
SCHEMBL5584573 0.85 KCNH2 (0.46) KCNH2ABCB1ADRB2ADRB1ADRB3
SCHEMBL5584992 0.85 KCNH2 (0.46) KCNH2ABCB1ADRB2ADRB1ADRB3
SCHEMBL14571508 0.85 HTR1A (0.46) KCNH2ADRB2ADRB1ADRB3
SCHEMBL5585109 0.84 POLB (0.50) POLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL5584904 0.84 POLB (0.50) POLBSMN1; SMN2CYP1A2CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP claimed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US claimed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US claimed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP claimed
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 POLB 2060/4885SMN1; SMN2 3563/4885CYP1A2 473/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A POLB 2060/4885SMN1; SMN2 3563/4885CYP1A2 473/4885

“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.