Sugi Predict

Sugi Predict / Compounds / SCHEMBL5584282

SCHEMBL5584282

SCHEMBL5584282

O=C(c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTR1A P08908 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ DRD4 P21917 6/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ABCB1 P08183 3/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 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
SCHEMBL5584976 1.00 CYP1A2 (0.51) CYP1A2CYP2C19POLBSMN1; SMN2HTR1A
SCHEMBL5584680 0.94 ALDH1A1 (0.50) CYP1A2CYP2C19HTR1ASLC6A4DRD4
SCHEMBL5584962 0.94 ALDH1A1 (0.50) CYP1A2CYP2C19HTR1ASLC6A4DRD4
SCHEMBL5584544 0.89 POLB (0.52) CYP1A2CYP2C19POLBSMN1; SMN2HPGD
SCHEMBL5584259 0.89 POLB (0.52) CYP1A2CYP2C19POLBSMN1; SMN2HPGD
SCHEMBL7497023 0.89 ALDH1A1 (0.46) CYP1A2CYP2C19HTR1ASLC6A4DRD4
SCHEMBL5584396 0.89 DRD4 (0.51) CYP1A2CYP2C19HTR1ASLC6A4DRD4
SCHEMBL5584673 0.88 HTR1A (0.51) CYP1A2CYP2C19HTR1ASLC6A4DRD4
SCHEMBL5584820 0.87 DRD4 (0.49) CYP1A2CYP2C19HTR1ASLC6A4DRD4
SCHEMBL5585062 0.86 HTR1A (0.48) CYP1A2CYP2C19HTR1ASLC6A4DRD4

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 8 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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 — — US disclosed
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 CYP1A2 473/4885CYP2C19 402/4885POLB 2060/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CYP1A2 473/4885CYP2C19 402/4885POLB 2060/4885

“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.