SCHEMBL5512404

SCHEMBL5512404

NC(=O)NCCCc1cnc[nH]1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.58
QPCTL Q9NXS2 1/20 0.58
HRH4 Q9H3N8 4/20 0.57
HRH2 P25021 4/20 0.57
HRH3 Q9Y5N1 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL2755855 0.90 QPCT (0.71) QPCTQPCTLHRH4HRH2HRH3
SCHEMBL19059415 0.82 CYP3A4 (0.54) QPCTQPCTLHRH4HRH2HRH3
SCHEMBL19059737 0.81 CYP3A4 (0.60) HRH4HRH2HRH3CYP3A4CYP2D6
SCHEMBL19059656 0.79 CYP3A4 (0.54) QPCTQPCTLHRH4HRH3CYP3A4
SCHEMBL28530363 0.76 CYP3A4 (0.71) QPCTQPCTLHRH4HRH3CYP3A4
SCHEMBL17483161 0.76 QPCT (0.75) QPCTQPCTLHRH4HRH3CYP3A4
SCHEMBL21858082 0.76 QPCT (0.75) QPCTQPCTLHRH4HRH3CYP3A4
SCHEMBL18381442 0.76 CYP3A4 (0.74) QPCTQPCTLHRH4HRH2HRH3
SCHEMBL18381410 0.76 CYP3A4 (0.74) HRH4HRH2HRH3CYP3A4CYP2D6
SCHEMBL11036080 0.75 HRH4 (0.86) HRH4HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 QPCT 4475/4885QPCTL 4432/4885HRH4 773/4885

“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.