SCHEMBL10136295

SCHEMBL10136295

CCCCCCCCCCCCCCCCC(N)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 2/20 0.53
▸ GRIK2 Q13002 2/20 0.53
▸ GNAI3 P08754 1/20 0.51
▸ GNAO1 P09471 1/20 0.51
▸ GNAI1 P63096 1/20 0.51
▸ LAP3 P28838 2/20 0.50
▸ SLC1A2 P43004 1/20 0.50
▸ SLC1A1 P43005 1/20 0.50
▸ DPP7 Q9UHL4 1/20 0.50
▸ GPR84 Q9NQS5 3/20 0.48
▸ SPHK1 Q9NYA1 1/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ ZDHHC20 Q5W0Z9 1/20 0.47
▸ ZDHHC2 Q9UIJ5 1/20 0.47
▸ OPRM1 P35372 1/20 0.46

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
SCHEMBL28740654 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL26747668 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL17002064 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL4658553 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL12643425 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL12643424 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL10615091 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL1741155 0.98 GRIK1 (0.52) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL14819881 0.98 GRIK1 (0.52) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL12082030 0.98 GRIK1 (0.52) GRIK1GRIK2GNAI3GNAO1GNAI1

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-20160159861-A1 APJ Receptor Compounds ANCHOR THERAPEUTICS, INC. (US) 2016-06-09 — — US disclosed
US-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 — — US disclosed
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 — — US disclosed
US-20150011466-A1 APJ Receptor Compounds ANCHOR THERAPEUTICS INC (US) 2015-01-08 — — US disclosed
US-20130210709-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-08-15 — — US disclosed
US-20130005944-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-01-03 — — US disclosed
US-20120028888-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2012-02-02 — — US disclosed
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — US disclosed
US-20110301087-A1 CRF1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — US disclosed
US-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS ANTHOR THERAPEUTICS, INC. 2011-12-01 — — 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 (8 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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS PTH1R, MC1R, CASR GRIK1 1040/4885GRIK2 1712/4885GNAI3 172/4885
US-20150011466-A1 APJ Receptor Compounds APLNR, AP1G1, AP2B1 GRIK1 1073/4885GRIK2 1148/4885GNAI3 51/4885
US-20120028888-A1 APJ RECEPTOR COMPOUNDS APLNR, AP1G1, AP2B1 GRIK1 1113/4885GRIK2 1139/4885GNAI3 54/4885
US-20130005944-A1 CXCR4 Receptor Compounds CXCL12, CXCR4, CCR5 GRIK1 1567/4885GRIK2 2536/4885GNAI3 52/4885
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 GRIK1 418/4885GRIK2 549/4885GNAI3 90/4885
US-20130210709-A1 CXCR4 Receptor Compounds CXCR4, CXCL12, SDF4 GRIK1 612/4885GRIK2 1035/4885GNAI3 65/4885
US-20110301087-A1 CRF1 RECEPTOR COMPOUNDS CRHR1, CRH, CRHR2 GRIK1 285/4885GRIK2 450/4885GNAI3 430/4885
US-20160159861-A1 APJ Receptor Compounds APLNR, AP1G1, AP2B1 GRIK1 1073/4885GRIK2 1148/4885GNAI3 51/4885

“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.

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