SCHEMBL3278591

SCHEMBL3278591

CN(C(=O)O)C1CCC(N2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 13/20 0.44
L3MBTL1 Q9Y468 12/20 0.44
MBTD1 Q05BQ5 4/20 0.39
TP53BP1 Q12888 2/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
OPRL1 P41146 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL3278589 1.00 L3MBTL3 (0.44) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL151778 0.86 ALDH1A1 (0.38) L3MBTL3L3MBTL1ALDH1A1KDM4E
SCHEMBL217412 0.79
Hydrochloric Acid SCHEMBL4471911 0.77
SCHEMBL967360 0.77
SCHEMBL4162004 0.77 HSD11B1 (0.43) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4162009 0.77 HSD11B1 (0.43) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2694217 0.76 MEN1 (0.38) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2694220 0.76 MEN1 (0.38) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14371565 0.76 HSD11B1 (0.43) L3MBTL3L3MBTL1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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 (2 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-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases CDK1, MAPK1, NFATC1 L3MBTL3 4196/4885L3MBTL1 3687/4885MBTD1 3736/4885
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R L3MBTL3 1136/4885L3MBTL1 562/4885MBTD1 2785/4885

“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.