SCHEMBL2392890

SCHEMBL2392890

CC1(C)c2ccccc2C(O)C(O)C1N

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
OPRM1 P35372 4/20 0.37
KMT2A Q03164 1/20 0.33
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL8829487 0.88 HTR2A (0.41) HTR2AOPRM1KMT2AOPRD1OPRK1
SCHEMBL8829484 0.88 HTR2A (0.41) HTR2AOPRM1KMT2AOPRD1OPRK1
SCHEMBL8829485 0.88 HTR2A (0.41) HTR2AOPRM1KMT2AOPRD1OPRK1
SCHEMBL14101489 0.76 HTR2A (0.37) HTR2AKMT2A
SCHEMBL15717673 0.76 HTR2A (0.41) HTR2AOPRM1KMT2A
SCHEMBL15717672 0.76 HTR2A (0.41) HTR2AOPRM1KMT2A
SCHEMBL3369554 0.76 HTR2A (0.37) HTR2AKMT2A
SCHEMBL15717675 0.76 HTR2A (0.41) HTR2AOPRM1KMT2A
SCHEMBL28546015 0.74 HTR2A (0.42) HTR2AOPRM1KMT2A
SCHEMBL15630885 0.72 HTR2A (0.41) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853572-A1 FLUORINATED PHNO AND ANALOGS THEREOF Clera Inc. (CA) 2007-11-14 EP claimed
US-20070155736-A1 FLUORINATED PHNO AND ANALOGUES THEREOF CLARA INC. (CA) 2007-07-05 US claimed
WO-2006084368-A1 FLUORINATED PHNO AND ANALOGS THEREOF CLERA INC. (CA) 2006-08-17 WO claimed
CN-102223900-A Imaging ligands GEN ELECTRIC 2011-10-19 CN disclosed
US-20110217234-A1 IMAGING LIGANDS GENERAL ELECTRIC COMPANY 2011-09-08 US disclosed
US-20080181848-A1 METHOD TO DETECT DOPAMINE RECEPTORS IN THE FUNCTIONAL D2HIGH STATE SEEMAN PHILIP 2008-07-31 US disclosed
EP-1853572-A1 FLUORINATED PHNO AND ANALOGS THEREOF Clera Inc. (CA) 2007-11-14 EP disclosed
EP-1812081-A1 METHOD TO DETECT DOPAMINE RECEPTORS IN THE FUNCTIONAL D2HIGH STATE Clera Inc. (CA) 2007-08-01 EP disclosed
US-20070155736-A1 FLUORINATED PHNO AND ANALOGUES THEREOF CLARA INC. (CA) 2007-07-05 US disclosed
US-20070128107-A1 METHOD TO DETECT DOPAMINE RECEPTORS IN THE FUNCTIONAL D2HIGH STATE CLERA INC. (CA) 2007-06-07 US disclosed
WO-2006084368-A1 FLUORINATED PHNO AND ANALOGS THEREOF CLERA INC. (CA) 2006-08-17 WO disclosed
WO-2006047861-A1 METHOD TO DETECT DOPAMINE RECEPTORS IN THE FUNCTIONAL D2HIGH STATE CLERA INC. (CA) 2006-05-11 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 (2 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-20110217234-A1 IMAGING LIGANDS DRD2, SLC6A3, DRD3 HTR2A 36/4885OPRM1 118/4885KMT2A 3631/4885
US-20070155736-A1 FLUORINATED PHNO AND ANALOGUES THEREOF DBH, SLC6A3, PDE7A HTR2A 80/4885OPRM1 57/4885KMT2A 2435/4885

“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.