SCHEMBL1500669

SCHEMBL1500669

CCCC[Sn](CCCC)(CCCC)c1nnn(-c2cccnc2Br)c1C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.32
GRM1 Q13255 4/20 0.32
GRM5 P41594 2/20 0.32

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
SCHEMBL1500117 0.85 GRM1 (0.46) NR1I2GRM1GRM5
SCHEMBL1500116 0.85 KDM4E (0.33) NR1I2GRM1GRM5
SCHEMBL1500684 0.81 ALDH1A1 (0.39)
SCHEMBL1500694 0.80 TP53 (0.41) NR1I2
SCHEMBL1500720 0.79 PDE4B (0.38)
SCHEMBL1500683 0.79 KCNN4 (0.41)
SCHEMBL1500727 0.77 FAAH (0.33)
SCHEMBL1500671 0.76 SLC5A1 (0.40)
SCHEMBL1500709 0.75 GRM1 (0.46) NR1I2GRM1
SCHEMBL1500668 0.75 TP53 (0.45) NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 NR1I2 167/4885GRM1 2/4885GRM5 12/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 NR1I2 413/4885GRM1 3/4885GRM5 10/4885

“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.