SCHEMBL30627607

SCHEMBL30627607

C=Cc1c(CCNC(=O)OC(C)(C)C)ccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.61
▸ MTNR1A P48039 7/20 0.45
▸ IDO1 P14902 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ KDM4A O75164 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ HTR1A P08908 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
SCHEMBL30627643 0.83 NQO2 (0.63) NQO2MTNR1AIDO1CTSSCTSK
SCHEMBL30627602 0.82 NQO2 (0.62) NQO2MTNR1AIDO1CTSSCTSK
SCHEMBL30627583 0.82 NQO2 (0.62) NQO2MTNR1AIDO1CTSSCTSK
SCHEMBL30627627 0.82 NQO2 (0.62) NQO2MTNR1AIDO1CTSSCTSK
SCHEMBL30627624 0.82 NQO2 (0.62) NQO2MTNR1AIDO1CTSSCTSK
SCHEMBL30627657 0.82 NQO2 (0.62) NQO2MTNR1AIDO1CTSSCTSK
SCHEMBL30627584 0.82 NQO2 (0.62) NQO2MTNR1AIDO1CTSSCTSK
SCHEMBL1579453 0.81 NQO2 (0.75) NQO2MTNR1ACTSSCTSKKDM4A
SCHEMBL20564104 0.81 NQO2 (0.47) NQO2MTNR1ASLC2A1MTNR1B
SCHEMBL30627590 0.79 NQO2 (0.58) NQO2MTNR1AIDO1CTSSCTSK

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 1057/4885MTNR1A 222/4885IDO1 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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