SCHEMBL428148

SCHEMBL428148

NCC1CCCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
RET P07949 1/20 0.53
HTR6 P50406 6/20 0.51
IDO1 P14902 2/20 0.47
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL643387 0.94 HTR6 (0.56) HTR2ARETHTR6IDO1
Hydrochloric Acid SCHEMBL27196405 0.93 HTR6 (0.55) HTR2ARETHTR6IDO1
SCHEMBL61507 0.86 HTR6 (0.59) HTR2ARETHTR6IDO1
SCHEMBL29681415 0.86 HTR6 (0.59) HTR2ARETHTR6IDO1
SCHEMBL62360 0.86 HTR6 (0.59) HTR2ARETHTR6IDO1
Oxalic Acid SCHEMBL5361082 0.85 HTR6 (0.56) HTR2ARETHTR6
Hydrochloric Acid SCHEMBL15818880 0.85 HTR6 (0.57) HTR2ARETHTR6IDO1
SCHEMBL18440732 0.81 CYP19A1 (0.55) HTR2ARETIDO1SIGMAR1
SCHEMBL15320085 0.81 HTR6 (0.46) HTR6IDO1SIGMAR1
SCHEMBL9014682 0.79 SIGMAR1 (0.49) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
WO-2010110231-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE 塩野義製薬株式会社 (JP) 2010-09-30 WO 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-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 HTR2A 2604/4885RET 4627/4885HTR6 932/4885

“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.