SCHEMBL2628432

SCHEMBL2628432

CNCCCC(N)C(=O)NC(C(C)=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
HRH1 P35367 2/20 0.53
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
TACR1 P25103 1/20 0.41
TACR3 P29371 1/20 0.41
GPR88 Q9GZN0 1/20 0.40
KISS1R Q969F8 1/20 0.39
MMP2 P08253 5/20 0.39
MMP9 P14780 5/20 0.39
MMP1 P03956 4/20 0.39
MMP3 P08254 4/20 0.39
MMP14 P50281 4/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
CASR P41180 1/20 0.38
ANPEP P15144 1/20 0.38
RNPEP Q9H4A4 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
SCHEMBL13271776 0.86 HTR2A (0.47) HTR2AHRH1MTNR1AMTNR1BTACR1
SCHEMBL13032996 0.84 HTR2A (0.49) HTR2AHRH1MTNR1AMTNR1BTACR1
SCHEMBL13033193 0.82 ALDH1A1 (0.43) GPR88
SCHEMBL23052552 0.81 HTR2A (0.51) HTR2AHRH1MTNR1AMTNR1BMMP2
SCHEMBL13032995 0.81 HTR2A (0.44) HTR2AHRH1MTNR1AMTNR1BTACR1
SCHEMBL13979586 0.79 CTSC (0.57) MTNR1AMTNR1B
SCHEMBL2628429 0.77 ASAH1 (0.46) HTR2AHRH1TACR1TACR3
SCHEMBL31620930 0.74 MMP2 (0.53) HTR2AHRH1MMP2GRM2GRM3
SCHEMBL30829070 0.74 MMP2 (0.53) HTR2AHRH1MMP2GRM2GRM3
SCHEMBL8365628 0.72 LNPEP (0.50) HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175037-B2 Neuromedin U derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-03 US disclosed
US-9175037-B2 Neuromedin U derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-03 US disclosed
US-20120094899-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094899-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-01 US disclosed
US-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-01 US disclosed
US-20100286035-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 US disclosed
US-20100286035-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 US disclosed
EP-2206721-A1 NEUROMEDIN U DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-07-14 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 (3 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-20100286035-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR HTR2A 4281/4885HRH1 1825/4885MTNR1A 529/4885
US-20120094899-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR HTR2A 4809/4885HRH1 3153/4885MTNR1A 781/4885
US-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF GNRHR, SHBG, LHCGR HTR2A 4464/4885HRH1 3260/4885MTNR1A 1119/4885

“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.