SCHEMBL12634166

SCHEMBL12634166

Clc1cc2[nH]cnc2cc1Oc1ccc(CNC2Cc3ccccc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.39
NPY1R P25929 1/20 0.38
FYN P06241 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
QPCT Q16769 3/20 0.35
DRD2 P14416 1/20 0.35
POLB P06746 2/20 0.34
PRMT5 O14744 1/20 0.34
CASP6 P55212 1/20 0.33
FFAR1 O14842 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL12634162 0.88 GRIN2B (0.39) GRIN2BFYNQPCTLQPCTDRD2
SCHEMBL12633848 0.87 QPCT (0.44) NPY1RQPCTLQPCTDRD2POLB
SCHEMBL12633830 0.84 QPCTL (0.43) GRIN2BFYNQPCTLQPCTDRD2
Hydrochloric Acid SCHEMBL1876986 0.83 GRIN2B (0.41) GRIN2BNPY1RFYNQPCTLQPCT
SCHEMBL12634159 0.82 PTGDR2 (0.36) QPCTPOLBFFAR1KMT2A
Trifluoroacetic Acid SCHEMBL1874615 0.81 SLC2A1 (0.38) NPY1RQPCTPRMT5CASP6FFAR1
Trifluoroacetic Acid SCHEMBL1875567 0.81 SLC2A1 (0.38) NPY1RQPCTPRMT5CASP6FFAR1
SCHEMBL13137053 0.81 GRIN2B (0.41) GRIN2BFYNQPCTLQPCTPOLB
SCHEMBL14548043 0.80 QPCT (0.44) FYNQPCTLQPCTDRD2
Trifluoroacetic Acid SCHEMBL1875560 0.79 SLC2A1 (0.40) GRIN2BFYNDRD2PRMT5

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-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 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 (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-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 GRIN2B 288/4885NPY1R 58/4885FYN 4178/4885

“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.