SCHEMBL5584344

SCHEMBL5584344

O=C(C1=Cc2cccc(O)c2OC1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 4/20 0.40
TSHR P16473 2/20 0.40
NR1H4 Q96RI1 1/20 0.39
ERN1 O75460 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
HSP90AA1 P07900 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL5584972 0.83 KMT2A (0.59) NPC1RAB9AHPGDTSHRNR1H4
SCHEMBL5584301 0.77 HTR1D (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5584304 0.77 HTR1D (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5584158 0.68 KDM4E (0.43) NPC1RAB9AHPGDTSHRNR1H4
SCHEMBL554704 0.67 MGLL (0.67) NPC1RAB9AHPGDTSHRMGLL
SCHEMBL29794228 0.65 ALOX5 (0.51) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL3138277 0.64 NR1H4 (0.58) NPC1RAB9ANR1H4SMN1; SMN2ALDH1A1
SCHEMBL10720509 0.64 L3MBTL1 (0.71) RAB9AHPGDTSHRL3MBTL1PHGDH
SCHEMBL7121916 0.63 SMN1; SMN2 (0.77) HPGDTSHRGAASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7700819 0.62 PARP1 (0.38) NR1H4

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 NPC1 2906/4885RAB9A 2487/4885HPGD 2703/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NPC1 2906/4885RAB9A 2487/4885HPGD 2703/4885

“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.