SCHEMBL3055934

SCHEMBL3055934

O=C(CN1CCc2c(Oc3ccc(CO)cn3)cccc21)N1CCN(C(Cc2ccccc2)C2=COCO2)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
HTR6 P50406 2/20 0.31
DRD4 P21917 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3047411 0.92 MEN1 (0.31) MEN1KMT2ASMN1; SMN2HRH3HTR6
SCHEMBL3061625 0.92 HRH3 (0.36) MEN1KMT2ASMN1; SMN2HRH3HTR6
SCHEMBL3050853 0.90 HSPB1 (0.32) MEN1KMT2ASMN1; SMN2HRH3HTR6
SCHEMBL3051214 0.88 HRH3 (0.35) SMN1; SMN2HRH3HTR6ALDH1A1
SCHEMBL3057195 0.87 HTR2C (0.32) EGLN1
SCHEMBL3065126 0.85 GAA (0.39) SMN1; SMN2ALDH1A1
SCHEMBL3060418 0.84 HTR2C (0.36) MEN1KMT2ASMN1; SMN2HRH3ALDH1A1
SCHEMBL3058665 0.77 OPRM1 (0.38) HRH3DRD4ALDH1A1
SCHEMBL3051012 0.76 L3MBTL1 (0.36) MEN1KMT2A
SCHEMBL3056040 0.75 LOXL2 (0.43) MEN1KMT2ASMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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 (1 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 EGLN1 254/4885MEN1 275/4885KMT2A 2904/4885

“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.