SCHEMBL30627583

SCHEMBL30627583

CC(C)(C)OC(=O)NCCc1ccc2ccccc2c1Br

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.62
▸ NCEH1 Q6PIU2 2/20 0.49
▸ IDO1 P14902 3/20 0.47
▸ MTNR1A P48039 3/20 0.44
▸ LMNA P02545 1/20 0.43
▸ PRNP P04156 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ KDM4A O75164 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL30627643 0.86 NQO2 (0.63) NQO2IDO1MTNR1ACTSSCTSK
SCHEMBL30627584 0.85 NQO2 (0.62) NQO2IDO1MTNR1ACTSSCTSK
SCHEMBL30627602 0.85 NQO2 (0.62) NQO2IDO1MTNR1ACTSSCTSK
SCHEMBL30627657 0.85 NQO2 (0.62) NQO2IDO1MTNR1ALMNACTSS
SCHEMBL30627627 0.85 NQO2 (0.62) NQO2NCEH1IDO1MTNR1ALMNA
SCHEMBL30627624 0.85 NQO2 (0.62) NQO2NCEH1IDO1MTNR1ALMNA
SCHEMBL1579453 0.84 NQO2 (0.75) NQO2MTNR1ACTSSCTSKKDM4A
SCHEMBL30627607 0.82 NQO2 (0.61) NQO2IDO1MTNR1ACTSSCTSK
SCHEMBL30627590 0.82 NQO2 (0.58) NQO2IDO1MTNR1ACTSSCTSK
SCHEMBL20563944 0.80 MTNR1A (0.50) NQO2NCEH1MTNR1APRNPRXFP1

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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 — — 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 NQO2 1057/4885NCEH1 3911/4885IDO1 304/4885

“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.

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