SCHEMBL1883345

SCHEMBL1883345

COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)ccc1OCCO)CC2

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.74
TMEM97 Q5BJF2 3/20 0.73
DRD3 P35462 2/20 0.69
DRD2 P14416 1/20 0.69
DRD1 P21728 1/20 0.63
DRD4 P21917 1/20 0.63

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
SCHEMBL10010427 0.95 SIGMAR1 (0.69) SIGMAR1TMEM97DRD3DRD2DRD1
SCHEMBL10010438 0.95 SIGMAR1 (0.69) SIGMAR1TMEM97DRD3DRD2DRD1
SCHEMBL1890221 0.94 SIGMAR1 (0.83) SIGMAR1TMEM97DRD3DRD2DRD1
SCHEMBL12896039 0.92 SIGMAR1 (0.87) SIGMAR1TMEM97DRD3DRD2DRD1
SCHEMBL10010082 0.91 SIGMAR1 (0.75) SIGMAR1TMEM97DRD3DRD2DRD1
SCHEMBL10008887 0.91 SIGMAR1 (0.75) SIGMAR1TMEM97DRD3DRD2DRD1
SCHEMBL1901622 0.90 SIGMAR1 (0.89) SIGMAR1TMEM97DRD3DRD2
SCHEMBL1891237 0.90 SIGMAR1 (0.73) SIGMAR1TMEM97DRD3DRD2DRD1
SCHEMBL9885516 0.89 SIGMAR1 (0.78) SIGMAR1TMEM97DRD3DRD2DRD1
SCHEMBL1888410 0.89 SIGMAR1 (0.68) SIGMAR1TMEM97DRD3DRD2DRD1

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-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-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
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 (3 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-20080107599-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN SIGMAR1 2/4885TMEM97 1/4885DRD3 562/4885
US-20100150836-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN SIGMAR1 2/4885TMEM97 1/4885DRD3 562/4885
US-20110230662-A1 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN SIGMAR1 2/4885TMEM97 1/4885DRD3 487/4885

“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.