SCHEMBL8044642

SCHEMBL8044642

CCN1CCN(c2ccccc2F)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 6/20 0.65
TSHR P16473 2/20 0.65
POLB P06746 1/20 0.65
HSD17B10 Q99714 2/20 0.63
TDP1 Q9NUW8 3/20 0.62
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
GLA P06280 1/20 0.56
CHRNA7 P36544 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.52
GRM2 Q14416 1/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52

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
SCHEMBL2783743 0.86 DRD3 (0.53) KDM4EALDH1A1TSHRPOLBHSD17B10
SCHEMBL2782981 0.84 ALDH1A1 (0.51) KDM4EALDH1A1TSHRPOLBHSD17B10
SCHEMBL2780977 0.83 KDM4E (0.50) KDM4EALDH1A1TSHRPOLBHSD17B10
SCHEMBL2784944 0.83 ALDH1A1 (0.50) KDM4EALDH1A1TSHRPOLBHSD17B10
SCHEMBL2784258 0.83 DRD2 (0.56) KDM4EALDH1A1TSHRPOLBTDP1
SCHEMBL2097587 0.81 KDM4E (0.65) KDM4EALDH1A1TSHRPOLBHSD17B10
SCHEMBL16731500 0.80 SMN1; SMN2 (0.53) KDM4EALDH1A1TSHRPOLBTDP1
SCHEMBL2802128 0.80 KDM4E (0.48) KDM4EALDH1A1TSHRPOLBHSD17B10
SCHEMBL4256755 0.80 KDM4E (0.63) KDM4EALDH1A1TSHRPOLBHSD17B10
SCHEMBL10819397 0.79 CHRNA7 (0.53) KDM4EALDH1A1TSHRPOLBTDP1

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
EP-3765447-B1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2023-07-12 EP disclosed
EP-2220083-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2017-07-19 EP disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 US disclosed
WO-2017083242-A1 INHIBITORS OF SUPPRESSION OF TUMORIGENCITY 2 (ST2) AND METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-05-18 WO disclosed
WO-2016006975-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 WO disclosed
US-8785486-B2 Imidazo[1,2-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2014-07-22 US disclosed
US-8785486-B2 Imidazo[1,2-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2014-07-22 US disclosed
US-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-7915405-B2 2,4-disubstituted-5-aminocarbonyl-1,3-thiazole derivatives for therapeutic agent of antiinflammatory disease, method thereof for preparation, therapeutic agent for antiinflammatory disease induced by SPC activity containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-03-29 US disclosed
US-20110009441-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100145043-A1 2,4-Disubstituted-5-Aminocarbonyl-1,3-Thiazole Derivatives For Therapeutic Agent Of Antiinflammatory Disease, Method Thereof For Preparation, Therapeutic Agent For Antiinflammatory Disease Induced By SPC Activity Containing The Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
WO-2009062676-A2 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-05-22 WO disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-7166572-B1 Cyclohexapeptide compounds, processes for their production and their use as a pharmaceutical AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-01-23 US disclosed
US-7166572-B1 Cyclohexapeptide compounds, processes for their production and their use as a pharmaceutical AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-01-23 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 (6 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 KDM4E 1996/4885ALDH1A1 470/4885TSHR 953/4885
US-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 KDM4E 3294/4885ALDH1A1 819/4885TSHR 3072/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 KDM4E 1996/4885ALDH1A1 470/4885TSHR 953/4885
US-20100145043-A1 2,4-Disubstituted-5-Aminocarbonyl-1,3-Thiazole Derivatives For Therapeutic Agent Of Antiinflammatory Disease, Method Thereof For Preparation, Therapeutic Agent For Antiinflammatory Disease Induced By SPC Activity Containing The Same HRH4, TSLP, IL1R1 KDM4E 2666/4885ALDH1A1 965/4885TSHR 1216/4885
US-20110009441-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRIA2 KDM4E 1371/4885ALDH1A1 2825/4885TSHR 320/4885
US-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B KDM4E 2230/4885ALDH1A1 670/4885TSHR 200/4885

“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.