SCHEMBL1016150

SCHEMBL1016150

COC(=O)/C(=C\N(C)C)C(=O)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL1016151 1.00 CES2 (0.39) CES2CES1MAPTSMN1; SMN2TSHR
SCHEMBL1014911 0.98 CES2 (0.42) CES2CES1MAPTSMN1; SMN2TSHR
SCHEMBL1014910 0.98 CES2 (0.42) CES2CES1MAPTSMN1; SMN2TSHR
SCHEMBL1014889 0.97 MAPT (0.35) CES2CES1MAPT
SCHEMBL1014891 0.97 MAPT (0.35) CES2CES1MAPT
SCHEMBL1015828 0.93 MAPT (0.36) MAPT
SCHEMBL1015830 0.93 MAPT (0.36) MAPT
SCHEMBL31587724 0.93 MAPT (0.36) MAPT
SCHEMBL21960394 0.85 RECQL (0.39) MAPT
SCHEMBL30550006 0.82 CYP2C9 (0.44) CES2CES1MAPTSMN1; SMN2ALDH1A1

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
WO-2011049520-A1 ADAMANTYL IMINOCARBONYL-SUBSTITUTED PYRIMIDINES AS INHIBITORS OF 1 1 BETAHSD1 ASTRAZENECA AB (SE) 2011-04-28 WO disclosed
WO-2011049520-A1 ADAMANTYL IMINOCARBONYL-SUBSTITUTED PYRIMIDINES AS INHIBITORS OF 1 1 BETAHSD1 ASTRAZENECA AB (SE) 2011-04-28 WO disclosed
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 ASTRAZENECA AB (SE) 2011-04-21 US disclosed
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 ASTRAZENECA AB (SE) 2011-04-21 US disclosed
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 CES2 297/4885CES1 79/4885MAPT 4375/4885
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 HSD11B1, HSD17B11, HSD3B1 CES2 794/4885CES1 74/4885MAPT 3552/4885

“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.