SCHEMBL5584446

SCHEMBL5584446

C#CCNC(=O)c1cc2c(OC)cccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.47
NAMPT P43490 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 2/20 0.44
GPR55 Q9Y2T6 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 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
SCHEMBL5585274 0.84 HTT (0.54) HTTL3MBTL1NAMPTNPC1RAB9A
SCHEMBL5584651 0.81 HTT (0.53) HTTL3MBTL1NAMPTNPC1RAB9A
SCHEMBL4810941 0.78 CA12 (0.52) HTTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4813624 0.78 HTT (0.45) HTTL3MBTL1NAMPTNPC1RAB9A
SCHEMBL5584339 0.78 HTT (0.48) HTTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL5584421 0.78 HTT (0.48) HTTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL913689 0.77 CA12 (0.54) HTTL3MBTL1NPC1RAB9AMMP2
SCHEMBL5584903 0.77 LMNA (0.59) HTTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL5584760 0.76 CA12 (0.48) HTTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4255646 0.76 HTT (0.43) HTTL3MBTL1NAMPTNPC1RAB9A

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 HTT 546/4885L3MBTL1 4295/4885NAMPT 3760/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTT 546/4885L3MBTL1 4295/4885NAMPT 3760/4885

“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.