SCHEMBL1313709

SCHEMBL1313709

CCOC(=O)c1ccc(OCC)nc1OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
F10 P00742 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP1A2 P05177 2/20 0.45
NUDT1 P36639 1/20 0.44
GABRA5 P31644 1/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 3/20 0.42

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
SCHEMBL2713637 0.87 KDM4E (0.46) TSHRF10L3MBTL1CA12CA1
SCHEMBL1312979 0.83 POLB (0.57) TSHRF10L3MBTL1CYP1A2GABRA5
SCHEMBL12113233 0.83 MAPK8 (0.50) TSHRL3MBTL1CA9CYP1A2ALDH1A1
SCHEMBL3802758 0.83 ALDH1A1 (0.50) TSHRCA12CA1CA2CA7
SCHEMBL5820624 0.83 ALDH1A1 (0.49) TSHRL3MBTL1CA12CA1CA2
SCHEMBL424710 0.83 L3MBTL1 (0.48) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6409775 0.81 POLB (0.63) TSHRF10CA12CA1CA2
SCHEMBL4251382 0.80 HSP90AA1 (0.58) TSHRCA12CA1CA2CA7
SCHEMBL30828955 0.78 L3MBTL1 (0.49) TSHRL3MBTL1CA12CA1CA2
SCHEMBL3283452 0.75 ALDH1A1 (0.50) TSHRL3MBTL1CYP1A2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 WO disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 WO 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 (1 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 TSHR 3958/4885F10 4375/4885L3MBTL1 1250/4885

“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.