SCHEMBL5513682

SCHEMBL5513682

[O]CCc1c[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.67
CYP3A4 P08684 2/20 0.67
HTR2C P28335 2/20 0.67
HTR6 P50406 2/20 0.67
CYP1A2 P05177 2/20 0.67
MPO P05164 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2A6 P11509 1/20 0.67
NFKB1 P19838 1/20 0.67
HTR1D P28221 1/20 0.67
HTR1B P28222 1/20 0.67
HTR7 P34969 1/20 0.67
CTSK P43235 1/20 0.67
CYP2A13 Q16696 1/20 0.67
TAAR1 Q96RJ0 1/20 0.67
PMP22 Q01453 1/20 0.65
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
MAPT P10636 3/20 0.64
AHR P35869 1/20 0.64

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
SCHEMBL4985934 0.87 HTR2A (0.77) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL4229484 0.84 HTR2A (0.67) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL29756457 0.84 HTR2A (0.67) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL6524121 0.83 MEN1 (0.69) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL7005718 0.83 HTR2A (0.71) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL7004146 0.83 HTR2A (0.71) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL7889427 0.82 HTR2A (0.69) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL7004071 0.82 HTR2A (0.69) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL7001306 0.82 HTR2A (0.69) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL318663 0.81 SLC6A4 (0.63) HTR2ACYP3A4HTR2CHTR6CYP1A2

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 HTR2A 35/4885CYP3A4 1481/4885HTR2C 37/4885

“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.