SCHEMBL1887340

SCHEMBL1887340

COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)ccc1O)CC2

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.86
DRD3 P35462 6/20 0.86
DRD2 P14416 2/20 0.86
TMEM97 Q5BJF2 3/20 0.75
DRD4 P21917 5/20 0.63
DRD1 P21728 1/20 0.55

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 0.93 SIGMAR1 (0.87) SIGMAR1DRD3DRD2TMEM97DRD4
SCHEMBL8285666 0.93 SIGMAR1 (1.00) SIGMAR1DRD3DRD2TMEM97DRD4
SCHEMBL12673255 0.89 SIGMAR1 (0.85) SIGMAR1DRD3DRD2TMEM97DRD4
SCHEMBL8285661 0.86 SIGMAR1 (1.00) SIGMAR1DRD3DRD2TMEM97DRD4
SCHEMBL1882245 0.85 SIGMAR1 (0.88) SIGMAR1DRD3DRD2TMEM97DRD4
SCHEMBL14157774 0.84 SIGMAR1 (0.89) SIGMAR1DRD3DRD2TMEM97DRD4
SCHEMBL13638169 0.83 SIGMAR1 (0.71) SIGMAR1DRD3DRD2TMEM97DRD4
SCHEMBL8285657 0.82 SIGMAR1 (1.00) SIGMAR1DRD3DRD2TMEM97DRD4
SCHEMBL13631985 0.82 SIGMAR1 (0.81) SIGMAR1DRD3DRD2TMEM97DRD4
SCHEMBL1887858 0.82 DRD3 (0.74) SIGMAR1DRD3DRD2TMEM97DRD4

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 2/4885DRD3 562/4885DRD2 128/4885
US-20100150836-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN SIGMAR1 2/4885DRD3 562/4885DRD2 128/4885
US-20110230662-A1 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN SIGMAR1 2/4885DRD3 487/4885DRD2 76/4885

“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.