SCHEMBL20564483

SCHEMBL20564483

O=C(O)NCCc1ccc2ccccc2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.50
MTNR1B P49286 5/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NQO2 P16083 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
CYP2A6 P11509 1/20 0.41
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL20563659 0.83 MTNR1A (0.52) MTNR1AMTNR1BNQO2NCEH1
SCHEMBL20563944 0.82 MTNR1A (0.50) MTNR1AMTNR1BSMN1; SMN2NQO2NCEH1
SCHEMBL20563866 0.82 MTNR1A (0.50) MTNR1AMTNR1BLMNANQO2RAB9A
SCHEMBL20563783 0.82 MTNR1A (0.50) MTNR1AMTNR1BNQO2
SCHEMBL20563202 0.82 MTNR1A (0.54) MTNR1AMTNR1BNQO2NCEH1RAB9A
SCHEMBL1567114 0.81 MTNR1A (0.73) MTNR1AMTNR1BNQO2
SCHEMBL30627657 0.80 NQO2 (0.62) MTNR1ALMNASMN1; SMN2NQO2HPGD
SCHEMBL20564104 0.78 NQO2 (0.47) MTNR1AMTNR1BNQO2
SCHEMBL20563748 0.78 CYP1A2 (0.49) MTNR1AMTNR1BNQO2RAB9A
SCHEMBL11889090 0.78 CA12 (0.51) LMNASMN1; SMN2NCEH1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 MTNR1A 222/4885MTNR1B 276/4885LMNA 4601/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 MTNR1A 222/4885MTNR1B 276/4885LMNA 4601/4885

“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.