SCHEMBL5585019

SCHEMBL5585019

O=C(c1cc2c(O)cccc2o1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
POLB P06746 3/20 0.62
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
ALDH1A1 P00352 8/20 0.61
HPGD P15428 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 2/20 0.48
HRH4 Q9H3N8 1/20 0.48
RECQL P46063 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GRIN2B Q13224 1/20 0.46
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL5584787 0.89 RAB9A (0.53) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL5584739 0.77 NPC1 (0.49) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL3484205 0.76 KDM4E (0.45) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL27512419 0.76 CSNK2A1 (0.59) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL19864572 0.76 ALDH1A1 (1.00) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL15170873 0.76 ALDH1A1 (1.00) MAPTPOLBNPC1RAB9AALDH1A1
Methane SCHEMBL27891504 0.74 CSNK2A1 (0.57) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL5584152 0.74 KDM4E (0.65) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL5584615 0.73 NPC1 (0.51) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL20886785 0.72 ALDH1A1 (0.59) MAPTPOLBNPC1RAB9AALDH1A1

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 MAPT 949/4885POLB 2060/4885NPC1 2906/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A MAPT 949/4885POLB 2060/4885NPC1 2906/4885

“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.