SCHEMBL13060045

SCHEMBL13060045

CCN1CCN(C(=O)N(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HSD11B1 P28845 5/20 0.47
KDM4E B2RXH2 3/20 0.44
HTR1A P08908 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL282864 0.83
SCHEMBL14557427 0.83 HTR1A (0.46) HSD11B1KDM4EHTR1A
SCHEMBL22152624 0.82 KDM4E (0.44) HSD11B1KDM4EHTR1A
SCHEMBL771802 0.81 MAPT (0.48) MAPTHTR1AGAA
SCHEMBL18193469 0.81 MAPT (0.48) MAPTHTR1AGAA
SCHEMBL11508763 0.81 HTR1A (0.68) MAPTHSD11B1KDM4EHTR1A
SCHEMBL12726844 0.79 PIK3CD (0.66) MAPTGAA
SCHEMBL31206881 0.79 MAPT (0.47) MAPTHSD11B1KDM4EHTR1A
SCHEMBL28232389 0.79 MAPT (0.47) MAPTHTR1AGAA
SCHEMBL18389968 0.79 KDM4E (0.45) HSD11B1KDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 US disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
WO-2015103508-A1 CARBOCYCLIC SULFONE RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
US-8993563-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-31 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-05-23 US disclosed
US-7851467-B2 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-12-14 US disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
US-20080090811-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-04-17 US disclosed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 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 (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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF MAPT 2183/4885HSD11B1 2562/4885KDM4E 695/4885
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 MAPT 3255/4885HSD11B1 1141/4885KDM4E 4460/4885
US-20080090811-A1 Carbamate compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR2B MAPT 3716/4885HSD11B1 3173/4885KDM4E 397/4885
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS MTOR, MAPKAP1, PIK3R5 MAPT 2250/4885HSD11B1 757/4885KDM4E 2483/4885
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA MAPT 1274/4885HSD11B1 1208/4885KDM4E 3769/4885

“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.