SCHEMBL4400258

SCHEMBL4400258

CCCCCNC(N)=NN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
EPHX1 P07099 6/20 0.46
NAAA Q02083 1/20 0.43
CASP2 P42575 1/20 0.42
PRCP P42785 1/20 0.42
DPP7 Q9UHL4 1/20 0.41
SPHK1 Q9NYA1 3/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
POLB P06746 1/20 0.40

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
Bromide SCHEMBL5326686 0.98 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Iodide SCHEMBL4399930 0.98 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18077999 0.83
SCHEMBL627214 0.82 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14932687 0.82 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1273856 0.78 GRIN2D (0.81) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22622050 0.78 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL8165494 0.77 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6015497 0.77 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12099361 0.77 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306170-A1 SYNTHESIS OF TEGASEROD OR A SALT THEREOF GENERICS UK LIMITED (GB) 2009-12-10 US claimed
US-20090306170-A1 SYNTHESIS OF TEGASEROD OR A SALT THEREOF GENERICS UK LIMITED (GB) 2009-12-10 US disclosed
WO-2007119109-A3 PROCESSES FOR PREPARING TEGASEROD MALEATE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MEDICHEM SA (ES) 2008-06-12 WO disclosed
WO-2007119109-A2 PROCESSES FOR PREPARING TEGASEROD MALEATE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MEDICHEM, S.A. (US) 2007-10-25 WO disclosed
WO-2007119109-A2 PROCESSES FOR PREPARING TEGASEROD MALEATE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MEDICHEM, S.A. (US) 2007-10-25 WO disclosed
US-20060178519-A1 Process for preparing tegaserod DR. REDDY'S LABORATORIES LIMITED (IN) 2006-08-10 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-20090306170-A1 SYNTHESIS OF TEGASEROD OR A SALT THEREOF SLC10A2, VIP, GIPR GRIN2D 256/4885GRIN3B 420/4885GRIN1 720/4885
US-20060178519-A1 Process for preparing tegaserod MLNR, MLN, UGT1A9 GRIN2D 3190/4885GRIN3B 3629/4885GRIN1 4328/4885

“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.