SCHEMBL3064852

SCHEMBL3064852

Cn1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc2cc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRKAA2 P54646 2/20 0.39
LGALS8 O00214 1/20 0.39
LGALS3 P17931 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3046226 0.94 HRH3 (0.45) HRH3STAT3
SCHEMBL3054740 0.91 LGALS8 (0.39) HRH3KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3061606 0.90 HRH3 (0.44) HRH3MEN1KMT2ASCN9ASTAT3
SCHEMBL3064405 0.89 HRH3 (0.43) HRH3LGALS8LGALS3MEN1KMT2A
SCHEMBL3059483 0.89 RAB9A (0.49) MAPTSMN1; SMN2SCN9ARAB9ASTAT3
SCHEMBL3055575 0.89 HRH3 (0.41) HRH3LGALS8LGALS3MEN1KMT2A
SCHEMBL3062018 0.88 HRH3 (0.46) HRH3KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3055758 0.87 LGALS8 (0.40) HRH3SMN1; SMN2ALDH1A1LGALS8LGALS3
SCHEMBL3057678 0.86 HRH3 (0.41) HRH3PRKAA2SCN9ASTAT3
SCHEMBL3064409 0.86 HRH3 (0.44) HRH3LGALS8LGALS3MEN1KMT2A

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 HRH3 19/4885KCNQ3 3852/4885KCNQ2 4218/4885

“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.