SCHEMBL19164792

SCHEMBL19164792

Cn1c(N)cnc1NCCc1cccc2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.43
MTNR1A P48039 3/20 0.40
HTR2A P28223 3/20 0.38
HTR2C P28335 1/20 0.38
GAA P10253 7/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 1/20 0.38
MAPK1 P28482 3/20 0.37
KDM4C Q9H3R0 1/20 0.36
HPGD P15428 3/20 0.36
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALKBH1 Q13686 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL14868920 0.83 MTNR1A (0.40) EEDMTNR1AHTR2AHTR2CGAA
SCHEMBL14868927 0.78 MTNR1A (0.39) EEDMTNR1AHTR2AHTR2CGAA
SCHEMBL14869476 0.74 KDM4C (0.42) EEDMTNR1AHTR2AHTR2CGAA
SCHEMBL14868925 0.72 P2RX7 (0.49) EEDMTNR1AHTR2AHTR2CGAA
SCHEMBL14868910 0.71 MTNR1A (0.39) EEDMTNR1AHTR2AHTR2CGAA
SCHEMBL14869943 0.69 MTNR1A (0.40) EEDMTNR1AHTR2AHTR2CGAA
SCHEMBL14872384 0.69 MTNR1A (0.40) EEDMTNR1AHTR2AHTR2CGAA
SCHEMBL14869463 0.69 CA1 (0.39) EEDMTNR1AHTR2AHTR2CGAA
SCHEMBL14868958 0.68 MTNR1A (0.41) EEDMTNR1AHTR2AHTR2CGAA
SCHEMBL14869484 0.68 CA1 (0.43) EEDMTNR1AHTR2AHTR2CGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209394-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2017-07-27 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 (1 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-20170209394-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG EED 2710/4885MTNR1A 600/4885HTR2A 966/4885

“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.