SCHEMBL3936078

SCHEMBL3936078

CCOC(=O)CC(=O)CN1CCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.46
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PIK3CD O00329 1/20 0.41
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL3939476 0.95 TSHR (0.46) TSHRKMT2AHTTMGAMGAA
SCHEMBL668453 0.89 TSHR (0.56) TSHRKMT2AHTTALDH1A1MAPT
SCHEMBL4989111 0.87 KMT2A (0.50) TSHRKMT2AMGAMGAASI
SCHEMBL6528311 0.84 TSHR (0.50) TSHRKMT2AHTTALDH1A1ADRA1D
SCHEMBL9821321 0.83 TSHR (0.50) TSHRKMT2AHTTALDH1A1MAPT
SCHEMBL6495319 0.83 TSHR (0.49) TSHRKMT2AHTTGAAALDH1A1
SCHEMBL11512938 0.82 HTT (0.48) TSHRKMT2AHTTGAAALDH1A1
SCHEMBL6080745 0.82 KMT2A (0.46) TSHRKMT2AMGAMGAASI
SCHEMBL16984610 0.80 TSHR (0.61) TSHRKMT2AHTTALDH1A1LMNA
SCHEMBL11514599 0.80 TSHR (0.46) TSHRHTTALDH1A1MAPTADRA1D

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
WO-2009011627-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
US-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 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 (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-20090018166-A1 New Pyridine Analogues X 161 P2RY12, P2RY11, P2RY1 TSHR 1202/4885KMT2A 4611/4885HTT 2549/4885
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 TSHR 375/4885KMT2A 4239/4885HTT 2779/4885

“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.