SCHEMBL9893296

SCHEMBL9893296

CCCCC1(C)C(=O)N(C)c2cc(O)ccc2N(CC)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
CNR1 P21554 2/20 0.37
GPR55 Q9Y2T6 2/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.34
ESR2 Q92731 6/20 0.34
ESR1 P03372 5/20 0.34
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRM1 P35372 1/20 0.33
DYRK3 O43781 1/20 0.33
CSNK1E P49674 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33

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
SCHEMBL3516032 0.87 GAA (0.41) GAACNR1GPR55ALDH1A1LMNA
SCHEMBL3516991 0.81 CNR1 (0.42) GAACNR1GPR55PKMOPRD1
SCHEMBL9893219 0.79 KCNA5 (0.47) KCNA5KCNJ5KCNJ3
SCHEMBL9893261 0.78 MEN1 (0.41) GAACNR1GPR55ALDH1A1LMNA
SCHEMBL3519290 0.78 CNR1 (0.41) GAACNR1GPR55ALDH1A1PKM
SCHEMBL3519277 0.76 CNR1 (0.42) GAACNR1GPR55ALDH1A1PKM
SCHEMBL3521032 0.75 CNR1 (0.46) GAACNR1GPR55ALDH1A1LMNA
SCHEMBL3518167 0.75 KCNA5 (0.40) GAACNR1GPR55PKMESR2
SCHEMBL3521198 0.71 CNR1 (0.44) CNR1GPR55ALDH1A1PKMESR2
SCHEMBL3515695 0.70 PKM (0.45) GAACNR1GPR55PKMESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940889-B2 Process for producing benzo [b] [1,4] diazepine-2,4-dione compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-27 US disclosed
US-8796447-B2 Process for producing benzo[B][1,4]diazepine-2,4-dione compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-07-10 US disclosed
EP-2468733-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20120149899-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-14 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 (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-20120149899-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND KCNH1, KCNB2, KCNJ2 GAA 3852/4885CNR1 160/4885GPR55 1157/4885
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND KCNH1, KCNB2, KCNB1 GAA 4003/4885CNR1 212/4885GPR55 1354/4885

“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.