SCHEMBL19220291

SCHEMBL19220291

O=C(NCCCc1cccc(CCCNC(=O)O[C@@H]2CCn3ccnc32)c1)O[C@@H]1CCn2ccnc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 2/20 0.36
FKBP1A P62942 1/20 0.36
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL26878452 1.00 MTNR1A (0.37) MTNR1AMTNR1BEPHX1EPHX2FKBP1A
SCHEMBL19220265 1.00 MTNR1A (0.37) MTNR1AMTNR1BEPHX1EPHX2FKBP1A
SCHEMBL19223414 0.98 KDM4E (0.37) MTNR1AMTNR1BEPHX1EPHX2FKBP1A
SCHEMBL19220272 0.98 KDM4E (0.37) MTNR1AMTNR1BEPHX1EPHX2FKBP1A
SCHEMBL19220271 0.94 KDM4E (0.39) MTNR1AMTNR1BEPHX1EPHX2MAPT
SCHEMBL19223283 0.94 KDM4E (0.39) MTNR1AMTNR1BEPHX1EPHX2MAPT
SCHEMBL19223299 0.90 MTNR1A (0.34) MTNR1AMTNR1BEPHX2MAPT
SCHEMBL19220289 0.90 MTNR1A (0.34) MTNR1AMTNR1BEPHX2MAPT
SCHEMBL19220288 0.87 NAAA (0.36) MTNR1AMTNR1BHPGD
SCHEMBL19220269 0.87 NAAA (0.36) MTNR1AMTNR1BHPGD

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-20230381761-A1 CATALYSTS AND THEIR USES IN ONE-POT DIASTEREOSELECTIVE SYNTHESIS OF REMDESIVIR ACADEMIA SINICA (TW) 2023-11-30 US disclosed
US-20230381761-A1 CATALYSTS AND THEIR USES IN ONE-POT DIASTEREOSELECTIVE SYNTHESIS OF REMDESIVIR ACADEMIA SINICA (TW) 2023-11-30 US disclosed
US-10597422-B2 Process for making chloro-substituted nucleoside phosphoramidate compounds MERCK SHARP & DOHME CORP. (US) 2020-03-24 US disclosed
US-20190144485-A1 Process for Making Chloro-substituted Nucleoside Phosphoramidate Compounds MERCK SHARP & DOHME LLC 2019-05-16 US disclosed
US-20170226146-A1 PROCESS FOR MAKING CHLORO-SUBSTITUTED NUCLEOSIDE PHOSPHORAMIDATE COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-10 US disclosed
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 (4 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-20190144485-A1 Process for Making Chloro-substituted Nucleoside Phosphoramidate Compounds NUDT1, PNP, SAMHD1 MTNR1A 4100/4885MTNR1B 3626/4885EPHX1 869/4885
US-20170226146-A1 PROCESS FOR MAKING CHLORO-SUBSTITUTED NUCLEOSIDE PHOSPHORAMIDATE COMPOUNDS NUDT1, PNP, SAMHD1 MTNR1A 4100/4885MTNR1B 3626/4885EPHX1 869/4885
US-20230381761-A1 CATALYSTS AND THEIR USES IN ONE-POT DIASTEREOSELECTIVE SYNTHESIS OF REMDESIVIR MTAP, PNP, ALKBH1 MTNR1A 3622/4885MTNR1B 3721/4885EPHX1 302/4885
US-10597422-B2 Process for making chloro-substituted nucleoside phosphoramidate compounds NUDT1, PNP, SAMHD1 MTNR1A 4100/4885MTNR1B 3626/4885EPHX1 869/4885

“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.