SCHEMBL5584972

SCHEMBL5584972

COc1cccc2c1OCC(C(=O)N1CCOCC1)=C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NR1H4 Q96RI1 1/20 0.54
ALDH1A1 P00352 1/20 0.52
TP53 P04637 2/20 0.51
MEN1 O00255 2/20 0.50
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
AKR1C3 P42330 1/20 0.44
GLA P06280 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
SCHEMBL5584344 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2NR1H4ALDH1A1
SCHEMBL5584301 0.82 HTR1D (0.50) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL5584304 0.82 HTR1D (0.50) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL981963 0.79 KMT2A (0.70) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL9058215 0.79 KMT2A (0.70) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL5584812 0.76 KMT2A (0.65) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL9057396 0.76 KMT2A (0.65) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL2109887 0.73 PRSS1 (0.60) TP53
SCHEMBL7386387 0.71 CA12 (0.63) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL12766946 0.71 HTT (0.72) KMT2AMAPTPOLBHTTALDH1A1

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 KMT2A 765/4885NPC1 2906/4885RAB9A 2487/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KMT2A 765/4885NPC1 2906/4885RAB9A 2487/4885

“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.