SCHEMBL8916586

SCHEMBL8916586

CN1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
SMN1; SMN2 Q16637 6/20 0.54
LMNA P02545 5/20 0.54
GAA P10253 1/20 0.54
HTR7 P34969 4/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 2/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.52
MITF O75030 1/20 0.52
S1PR4 O95977 1/20 0.52
MAPT P10636 1/20 0.52
S1PR1 P21453 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 2/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.51
NPBWR1 P48145 1/20 0.51
MCHR1 Q99705 1/20 0.51

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
SCHEMBL221818 0.83 MC4R (0.58) ALDH1A1LMNAGAAPOLBNPC1
SCHEMBL8916629 0.82 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2LMNAGAAHTR7
SCHEMBL8916609 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL8188406 0.79 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2LMNAGAAHTR7
SCHEMBL31709238 0.79 ALDH1A1 (0.70) ALDH1A1LMNAHTR7HTTMAPT
SCHEMBL8916384 0.76 ACHE (0.68) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL2841801 0.76 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2LMNAHTR7KDM4E
SCHEMBL4815887 0.76 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2LMNAHTR7MAPT
SCHEMBL10405323 0.75 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAGAAHTT
SCHEMBL8917332 0.75 ALOX15 (0.53) ALDH1A1SMN1; SMN2LMNAGAAKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ALDH1A1 565/4885SMN1; SMN2 4313/4885LMNA 2721/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885SMN1; SMN2 3224/4885LMNA 4340/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885SMN1; SMN2 3077/4885LMNA 1091/4885

“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.