SCHEMBL4463889

SCHEMBL4463889

CCOC(=O)c1ccc(-c2ccc(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTR5A P47898 3/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TP53 P04637 1/20 0.40
RCE1 Q9Y256 1/20 0.39
POLB P06746 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39

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
SCHEMBL3695898 0.86 LPAR1 (0.46) HDAC1HDAC3HDAC2NCOR2LPAR1
SCHEMBL6540863 0.82 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6539924 0.81 POLB (0.53) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL4461296 0.80 ADRB3 (0.49)
SCHEMBL4461299 0.80 ADRB3 (0.49)
SCHEMBL9823156 0.78 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6540837 0.77 POLB (0.53) HDAC1HDAC3HDAC2NCOR2SMN1; SMN2
SCHEMBL6540326 0.76 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6541161 0.76 MAPT (0.45) HDAC1HDAC3HDAC2NCOR2SMN1; SMN2
SCHEMBL1222552 0.75 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53POLB

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-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 US 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 HDAC1 2194/4885HDAC3 2349/4885HDAC2 1457/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 HDAC1 864/4885HDAC3 1060/4885HDAC2 573/4885

“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.