SCHEMBL3029129

SCHEMBL3029129

CCOC(=O)c1[nH]c2ccccc2c1CC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.75
HTR1A P08908 1/20 0.71
DRD2 P14416 1/20 0.71
DRD4 P21917 1/20 0.71
HTR1D P28221 1/20 0.71
HTR1B P28222 1/20 0.71
HTR1F P30939 1/20 0.71
HTR7 P34969 1/20 0.71
DRD3 P35462 1/20 0.71
TUBB4A P04350 2/20 0.64
TUBB P07437 2/20 0.64
TUBA3C P0DPH7 2/20 0.64
TUBA1B P68363 2/20 0.64
TUBA4A P68366 2/20 0.64
TUBB4B P68371 2/20 0.64
TUBB3 Q13509 2/20 0.64
TUBB2A Q13885 2/20 0.64
TUBB8 Q3ZCM7 2/20 0.64
TUBA3E Q6PEY2 2/20 0.64
TUBA1A Q71U36 2/20 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
SCHEMBL3195026 0.90 HTR6 (0.73) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3033159 0.88 HTR6 (0.80) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL9686881 0.88 HTR6 (0.71) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL4573014 0.87 HTR6 (0.70) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL4266152 0.87 HTR6 (0.70) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL7380594 0.86 KDM4E (0.60) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL7671532 0.86 HTR6 (0.68) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL14722467 0.86 HTR6 (0.68) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL1486947 0.86 HTR6 (1.00) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2204865 0.86 HTR6 (0.76) HTR6HTR1ADRD2DRD4HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988377-B2 Small molecule inducers of GDNF as potential new therapeutics for neuropsychiatric disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-05 US disclosed
EP-2948454-B1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENT & IND RES AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETI (IN) 2017-05-31 EP disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 HTR6 3664/4885HTR1A 4178/4885DRD2 2775/4885

“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.