SCHEMBL349681

SCHEMBL349681

[CH2]CCN(C(=N)N)C(C)=O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL27709235 0.81 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11805030 0.70 KMT2A (0.33)
SCHEMBL20390 0.69 CHRM1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL11810069 0.69 KMT2A (0.33)
SCHEMBL349639 0.67
SCHEMBL30844400 0.67 CHRM1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrogen Peroxide SCHEMBL7571602 0.67 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL8069683 0.67 CHRM1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL545840 0.67 CHRM1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4380617 0.65 TDP1 (0.33)

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 US disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
US-20120015868-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-19 US disclosed
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-22 US disclosed
EP-2379053-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2011-10-26 EP disclosed
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-10 US disclosed
US-20110039786-A1 METASTIN DERIVATIVE AND USE THEREOF KYOTO UNIVERSITY (JP) 2011-02-17 US disclosed
US-7625869-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
EP-2113513-A2 Metastin derivatives and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP disclosed
US-20090215700-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-27 US disclosed
EP-2081955-A1 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-29 EP disclosed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
WO-2008050897-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-20060241051-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 WO disclosed
EP-1577323-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-09-21 EP 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 (7 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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF NOS3 3932/4885NOS1 4102/4885NOS2 3899/4885
US-20090215700-A1 Metastin derivatives and use thereof SHBG, GNRHR, INHA NOS3 3323/4885NOS1 3419/4885NOS2 3385/4885
US-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 NOS3 3430/4885NOS1 3640/4885NOS2 3698/4885
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER KLK3, SHBG, SERPINA3 NOS3 3475/4885NOS1 3431/4885NOS2 3445/4885
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA NOS3 3323/4885NOS1 3419/4885NOS2 3385/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF NOS3 3932/4885NOS1 4102/4885NOS2 3899/4885
US-20110039786-A1 METASTIN DERIVATIVE AND USE THEREOF MEN1, HGF, STMN1 NOS3 3678/4885NOS1 3759/4885NOS2 3773/4885

“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.