SCHEMBL19220293

SCHEMBL19220293

O=C(NCCCc1ccccc1CCCNC(=O)OC1CCn2ccnc21)OC1CCn2ccnc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.35
MTNR1A P48039 8/20 0.35
MTNR1B P49286 8/20 0.35
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
EPHX1 P07099 1/20 0.33
RAB9A P51151 1/20 0.33
BCHE P06276 1/20 0.33
FKBP1A P62942 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NAAA Q02083 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
SCHEMBL19223284 1.00 DRD3 (0.35) DRD3MTNR1AMTNR1BKEAP1NFE2L2
SCHEMBL19220266 1.00 DRD3 (0.35) DRD3MTNR1AMTNR1BKEAP1NFE2L2
SCHEMBL19220270 0.87 DRD3 (0.35) DRD3KEAP1NFE2L2BCHEKDM4E
SCHEMBL19220286 0.87 DRD3 (0.35) DRD3KEAP1NFE2L2BCHEKDM4E
SCHEMBL19220307 0.87 DRD3 (0.35) DRD3KEAP1NFE2L2BCHEKDM4E
SCHEMBL19220306 0.87 DRD3 (0.35) DRD3KEAP1NFE2L2BCHEKDM4E
SCHEMBL19220268 0.87 DRD3 (0.35) DRD3KEAP1NFE2L2BCHEKDM4E
SCHEMBL19220269 0.87 NAAA (0.36) DRD3MTNR1AMTNR1BKEAP1NFE2L2
SCHEMBL19220265 0.87 MTNR1A (0.37) MTNR1AMTNR1BEPHX1FKBP1A
SCHEMBL19220288 0.87 NAAA (0.36) DRD3MTNR1AMTNR1BKEAP1NFE2L2

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-20170226146-A1 PROCESS FOR MAKING CHLORO-SUBSTITUTED NUCLEOSIDE PHOSPHORAMIDATE COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-10 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 (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-20170226146-A1 PROCESS FOR MAKING CHLORO-SUBSTITUTED NUCLEOSIDE PHOSPHORAMIDATE COMPOUNDS NUDT1, PNP, SAMHD1 DRD3 3683/4885MTNR1A 4100/4885MTNR1B 3626/4885

“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.