SCHEMBL1887858

SCHEMBL1887858

COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(I)ccc1O)CC2

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.74
DRD4 P21917 7/20 0.74
DRD1 P21728 3/20 0.74
SIGMAR1 Q99720 4/20 0.70
TMEM97 Q5BJF2 3/20 0.70
DRD2 P14416 3/20 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
SCHEMBL1887377 0.90 SIGMAR1 (0.87) DRD3DRD4DRD1SIGMAR1TMEM97
SCHEMBL1884293 0.89 SIGMAR1 (0.75) DRD3DRD4DRD1SIGMAR1TMEM97
SCHEMBL1891237 0.87 SIGMAR1 (0.73) DRD3DRD4DRD1SIGMAR1TMEM97
SCHEMBL13501680 0.86 TMEM97 (0.83) DRD3DRD4DRD1SIGMAR1TMEM97
SCHEMBL1884014 0.86 TMEM97 (0.83) DRD3DRD4DRD1SIGMAR1TMEM97
SCHEMBL13929439 0.86 SIGMAR1 (0.82) DRD3DRD4DRD1SIGMAR1TMEM97
SCHEMBL13631985 0.85 SIGMAR1 (0.81) DRD3DRD4DRD1SIGMAR1TMEM97
SCHEMBL10009452 0.84 SIGMAR1 (0.69) DRD3DRD4DRD1SIGMAR1TMEM97
SCHEMBL10009787 0.84 SIGMAR1 (0.69) DRD3DRD4DRD1SIGMAR1TMEM97
SCHEMBL1891878 0.83 SIGMAR1 (0.66) DRD3DRD4DRD1SIGMAR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8506927-B2 Pegylated fluorobenzamide analogues, their synthesis and use in diagnostic imaging WASHINGTON UNIVERSITY (US) 2013-08-13 US disclosed
US-20120171119-A1 PEGYLATED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2012-07-05 US disclosed
US-8193360-B2 Radiolabelled fluorobenzamide analogues, their synthesis and use in diagnostic imaging WASHINGTON UNIVERSITY (US) 2012-06-05 US disclosed
US-20110230662-A1 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2011-09-22 US disclosed
US-7947838-B2 Radiolabelled benzamide analogues, their synthesis and use in diagnostic imaging WASHINGTON UNIVERSITY (US) 2011-05-24 US disclosed
US-20100150836-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-06-17 US disclosed
EP-2164327-A2 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-03-24 EP disclosed
US-7659400-B2 Radiolabelled benzamide analogues, their synthesis and use in diagnostic imaging WASHINGTON UNIVERSITY (US) 2010-02-09 US disclosed
WO-2009025914-A2 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2009-02-26 WO disclosed
US-20080107599-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY OF ST. LOUIS 2008-05-08 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 (4 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-20120171119-A1 PEGYLATED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN DRD3 1235/4885DRD4 1398/4885DRD1 1139/4885
US-20080107599-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN DRD3 562/4885DRD4 785/4885DRD1 544/4885
US-20100150836-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN DRD3 562/4885DRD4 785/4885DRD1 544/4885
US-20110230662-A1 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN DRD3 487/4885DRD4 670/4885DRD1 537/4885

“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.