SCHEMBL803110

SCHEMBL803110

Cc1nccc(CC(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.34
GRM4 Q14833 1/20 0.34
AAK1 Q2M2I8 10/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GRIN1 Q05586 3/20 0.32
GRIN2B Q13224 3/20 0.32
ESR1 P03372 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL22905299 0.87 GRIN1 (0.30) GRIN1GRIN2B
SCHEMBL21324866 0.79 NUDT1 (0.34) NUDT1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL18501682 0.78 NUDT1 (0.33) NUDT1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL13028800 0.78 ESR1 (0.38) NUDT1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL6787300 0.78 NUDT1 (0.53) NUDT1
SCHEMBL12775925 0.76 DYRK1A (0.35) NUDT1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL30481675 0.76
SCHEMBL805491 0.76
SCHEMBL23542736 0.75 AAK1 (0.35) NUDT1AAK1NPC1HTTRAB9A
SCHEMBL22905296 0.75 FFAR1 (0.36) NUDT1RAB9AGRIN1GRIN2B

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-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 US disclosed
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 US disclosed
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2021-03-25 US disclosed
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 US disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 US disclosed
US-20140349994-A1 Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA S.A. (CH) 2014-11-27 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C NUDT1 2075/4885GRM4 20/4885AAK1 1712/4885
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C NUDT1 2075/4885GRM4 20/4885AAK1 1712/4885
US-20140349994-A1 Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors GRM4, GRM1, GRM5 NUDT1 4105/4885GRM4 1/4885AAK1 464/4885
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 NUDT1 4259/4885GRM4 3065/4885AAK1 2203/4885
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C NUDT1 2075/4885GRM4 20/4885AAK1 1712/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK NUDT1 38/4885GRM4 4119/4885AAK1 3062/4885
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 NUDT1 1542/4885GRM4 4441/4885AAK1 1145/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 NUDT1 2012/4885GRM4 2273/4885AAK1 1960/4885

“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.