SCHEMBL5584301

SCHEMBL5584301

O=C(C1=Cc2cccc(OC[C@@H]3CO3)c2OC1)N1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5584304 1.00 HTR1D (0.50) HTR1DHTR1BCYP1A2CYP3A4KMT2A
SCHEMBL5584972 0.82 KMT2A (0.59) KMT2ATP53NPC1RAB9APOLB
SCHEMBL5584537 0.79 KMT2A (0.47) HTR1DHTR1BCYP1A2CYP3A4KMT2A
SCHEMBL5584538 0.79 KMT2A (0.47) HTR1DHTR1BCYP1A2CYP3A4KMT2A
SCHEMBL5584344 0.77 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5585071 0.73 POLB (0.49) CYP1A2NPC1RAB9APOLBSMN1; SMN2
SCHEMBL5585069 0.73 POLB (0.49) CYP1A2NPC1RAB9APOLBSMN1; SMN2
SCHEMBL5584823 0.71 RAB9A (0.43) KMT2ANPSR1TP53NPC1RAB9A
SCHEMBL5584944 0.70 RIPK1 (0.56) CYP1A2CYP3A4POLBMAPTSMN1; SMN2
SCHEMBL6863920 0.68 NPSR1 (0.45) KMT2ANPSR1RAB9AMAPTHTT

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 HTR1D 2/4885HTR1B 7/4885CYP1A2 473/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1D 2/4885HTR1B 7/4885CYP1A2 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.