SCHEMBL3129574

SCHEMBL3129574

N[C@@H](Cc1ccc2ccccc2c1)C1OCCO1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
TACR1 P25103 2/20 0.41
MC4R P32245 2/20 0.41
MC5R P33032 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
DPP4 P27487 1/20 0.40
EPHX1 P07099 1/20 0.39
SLC6A4 P31645 1/20 0.39
MC3R P41968 1/20 0.39
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38

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
SCHEMBL3129213 0.80 EPHX1 (0.48) CYP2A6EPHX1SLC6A4MAOA
SCHEMBL3123916 0.80 EPHX1 (0.48) CYP2A6EPHX1SLC6A4MAOA
SCHEMBL7298579 0.79 HTR2A (0.59) HTR2AHTR2CHTR2BTACR1MC4R
Hydrochloric Acid SCHEMBL7299669 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BTACR1MC4R
SCHEMBL3126270 0.78 TAAR1 (0.41) CYP2A6DPP4EPHX1SLC6A4MAOA
SCHEMBL5144401 0.74 HTR2A (0.67) HTR2AHTR2CHTR2BTACR1MC4R
SCHEMBL3126103 0.73 TAAR1 (0.48) DPP4
SCHEMBL3129564 0.73 SLC6A4 (0.54) CYP1A2DPP4SLC6A4
SCHEMBL29910984 0.71 CYP1A2 (0.47) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL31054190 0.71 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1491537-B1 HYDROXYMORPHOLINONE DERIVATIVE AND MEDICINAL USE THEREOF SENJU PHARMA CO (JP) 2010-07-07 EP disclosed
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 35/4885HTR2C 37/4885HTR2B 30/4885

“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.