SCHEMBL1319449

SCHEMBL1319449

C[C@@]12CCC[C@H]1[C@@H]1CCC3C[CH]CC[C@]3(C)[C@H]1CC2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 2/20 0.58
CDK5 Q00535 1/20 0.58
CDK5R1 Q15078 1/20 0.58
GRIN1 Q05586 7/20 0.50
GRIN2B Q13224 7/20 0.50
MBOAT4 Q96T53 3/20 0.45
CYP19A1 P11511 5/20 0.39
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19733225 1.00 NR1I3 (0.58) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL1319450 1.00 NR1I3 (0.58) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL2955007 0.79 CYP19A1 (0.59) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL5450814 0.79 CYP19A1 (0.59) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL24451237 0.78 CDK5 (0.64) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL4998832 0.78 CDK5 (0.64) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL157803 0.78 CDK5 (0.64) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL317924 0.78 CDK5 (0.64) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL157802 0.78 CDK5 (0.64) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL10343473 0.78 CDK5 (0.64) NR1I3CDK5CDK5R1GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105001880-B Aligning agent for liquid crystal and liquid crystal display element JSR株式会社 2018-06-15 CN disclosed
CN-103980911-B Aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal display cells and its manufacture method JSR株式会社 2017-03-01 CN disclosed
US-20160027946-A1 OPTICAL DEVICE JSR CORPORATION (JP) 2016-01-28 US disclosed
CN-105001880-A Liquid crystal aligning agent and liquid crystal display element JSR CORP 2015-10-28 CN disclosed
CN-103980911-A Liquid crystal alignment agent, liquid crystal alignment film, liquid crystal display element and manufacture method thereof JSR CORP 2014-08-13 CN disclosed
US-8057990-B2 Prevent, therapy for cancer; complex of tacrine compound and protein TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-15 US disclosed
US-7927821-B2 Methods of screening for compounds which bind G protein-coupled receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 US disclosed
US-7919260-B2 Therapy for psychological disorders; schizophrenia; cognition activators; Parkinson's disease; complex of protein and ligand TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-05 US disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090069228-A1 Screening Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-12 US disclosed
US-20080305110-A1 Novel Ligand of G Protein Coupled Receptor Protein and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 US disclosed
US-20080280938-A1 Screening Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-13 US disclosed
EP-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP disclosed
EP-1860185-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2007-11-28 EP disclosed
EP-1857817-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2007-11-21 EP disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed
EP-1736775-A1 NOVEL LIGAND OF G PROTEIN COUPLED RECEPTOR PROTEIN AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-12-27 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 (5 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 NR1I3 95/4885CDK5 2008/4885CDK5R1 774/4885
US-20080305110-A1 Novel Ligand of G Protein Coupled Receptor Protein and Use Thereof MYLK2, MUSK, GPR119 NR1I3 648/4885CDK5 3845/4885CDK5R1 2244/4885
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R NR1I3 759/4885CDK5 449/4885CDK5R1 255/4885
US-20080280938-A1 Screening Method STUB1, TP53, TACR2 NR1I3 1603/4885CDK5 700/4885CDK5R1 669/4885
US-20090069228-A1 Screening Method SAP30BP, PRLHR, UPF1 NR1I3 3683/4885CDK5 1891/4885CDK5R1 2220/4885

“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.