SCHEMBL2885332

SCHEMBL2885332

CCOC(=O)NN1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.49
GNAO1 P09471 2/20 0.49
GNAI1 P63096 2/20 0.49
LIPE Q05469 1/20 0.38
GAA P10253 4/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRM1 P35372 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
SCHEMBL18771292 0.91 GNAI3 (0.42) GNAI3GNAO1GNAI1LIPEGAA
SCHEMBL11172594 0.89 GNAI3 (0.40) GNAI3GNAO1GNAI1LIPEGAA
SCHEMBL21634172 0.86
SCHEMBL28783627 0.83 GNAI3 (0.55) GNAI3GNAO1GNAI1ALDH1A1SMN1; SMN2
SCHEMBL5868672 0.82 LIPE (0.42) LIPEGAAMGAMSIMGAM2
SCHEMBL2885378 0.81 LIPE (0.44) LIPEGAAMGAMSIMGAM2
SCHEMBL28637803 0.80 GNAI3 (0.41) GNAI3GNAO1GNAI1CHRM5CHRM3
SCHEMBL8714621 0.78 LIPE (0.57) LIPEGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL11817099 0.77 TSHR (0.51) LIPEGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL20111517 0.75 GNAI3 (0.62) GNAI3GNAO1GNAI1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-08-24 US disclosed
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-08-24 US disclosed
EP-3199530-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR Changzhou Yinsheng Pharmaceutical Co., Ltd. (CN) 2017-08-02 EP disclosed
EP-1869106-B1 JANUS DENDRIMERS AND DENDRONS DENDRITIC NANOTECHNOLOGIES INC (US) 2014-06-25 EP disclosed
EP-1812149-B1 SEMIPERMEABLE COMPOSITE MEMBRANE, PRODUCTION PROCESS THEREOF AND TREATMENT METHOD FOR BORON-CONTAINING WATER TORAY INDUSTRIES (JP) 2013-06-12 EP disclosed
US-7641054-B2 Composite semipermeable membrane, production process thereof, and element, fluid separation equipment and treatment method for boron-containing water using the same TORAY INDUSTRIES, INC. (JP) 2010-01-05 US disclosed
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed
US-20080000843-A1 Composite Semipermeable Membrane, Production Process Thereof, and Element, Fluid Separation Equipment and Treatment Method for Boron-Containing Water Using the Same TORAY INDUSTRIES, INC. (JP) 2008-01-03 US disclosed
EP-1869106-A2 JANUS DENDRIMERS AND DENDRONS Dendritic Nanotechnologies, Inc. (US) 2007-12-26 EP disclosed
EP-1812149-A1 COMPOSITE SEMIPERMEABLE MEMBRANE, PRODUCTION PROCESS THEREOF, AND ELEMENT, FLUID SEPARATION EQUIPMENT AND TREATMENT METHOD FOR BORON-CONTAINING WATER USING THE SAME TORAY INDUSTRIES, INC. (JP) 2007-08-01 EP disclosed
WO-2006105043-A2 JANUS DENDRIMERS AND DENDRONS DENDRITIC NANOTECHNOLOGIES, INC. (US) 2006-10-05 WO disclosed
WO-2006051888-A1 COMPOSITE SEMIPERMEABLE MEMBRANE, PRODUCTION PROCESS THEREOF, AND ELEMENT, FLUID SEPARATION EQUIPMENT AND TREATMENT METHOD FOR BORON-CONTAINING WATER USING THE SAME TORAY INDUSTRIES, INC. (JP) 2006-05-18 WO disclosed
US-4430342-A CARDIOVASCULAR DISORDERS Hidaka, Hiroyoshi (JP) 1984-02-07 US disclosed
US-4421754-A ANTICOAGULANTS, MUSCLE RELAXANT Hidaka, Hiroyoshi (JP) 1983-12-20 US disclosed
EP-0076952-A1 N-acyl-3-(4-(benzoylalkyl)piperazin-1-yl)-sydnonimine compound, process for production thereof, and use thereof Hidaka, Hiroyoshi (JP) 1983-04-20 EP disclosed
EP-0073345-A2 Sydnonimine derivatives, process for production thereof, and use thereof Hidaka, Hiroyoshi (JP) 1983-03-09 EP disclosed
US-3855226-A PROCESS OF PREPARING NOVEL PIPERAZINYLETHYL CARBAMATES DOW CHEMICAL COMPANY, THE 1974-12-17 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-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR GTF3C4, BRD4, CUL4B GNAI3 1278/4885GNAO1 2573/4885GNAI1 848/4885
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 GNAI3 2104/4885GNAO1 4328/4885GNAI1 2480/4885

“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.