SCHEMBL16394142

SCHEMBL16394142

CC1(C)OB(c2ccc(C3CCC(O)CC3)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.49
LPL P06858 12/20 0.45
LIPG Q9Y5X9 12/20 0.45
HIF1A Q16665 1/20 0.42
F11 P03951 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
DGAT1 O75907 1/20 0.38
P4HB P07237 1/20 0.37

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
SCHEMBL16669514 1.00 ESR2 (0.49) ESR2LPLLIPGHIF1AF11
SCHEMBL16394141 1.00 ESR2 (0.49) ESR2LPLLIPGHIF1AF11
SCHEMBL14804365 0.92 LPL (0.52) ESR2LPLLIPGHIF1AF11
SCHEMBL16112310 0.92 LPL (0.52) ESR2LPLLIPGHIF1AF11
SCHEMBL2016127 0.85 LPL (0.46) ESR2LPLLIPGHIF1AF11
SCHEMBL20428742 0.85 ESR2 (0.49) ESR2LPLLIPGHIF1AF11
SCHEMBL2017546 0.85 LPL (0.46) ESR2LPLLIPGHIF1AF11
SCHEMBL2016128 0.85 LPL (0.46) ESR2LPLLIPGHIF1AF11
SCHEMBL3136657 0.85 HIF1A (0.49) ESR2LPLLIPGHIF1AF11
SCHEMBL3708268 0.85 LPL (0.49) ESR2LPLLIPGHIF1AF11

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
EP-3063148-B1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2020-04-29 EP disclosed
EP-3063148-B1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2020-04-29 EP disclosed
EP-3022210-B1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2018-02-21 EP disclosed
US-9492436-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-15 US disclosed
EP-3063148-A1 AZABENZIMIDAZOLE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2016-09-07 EP disclosed
EP-3022210-A1 NEW AZABENZIMIDAZOLE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2016-05-25 EP disclosed
US-9187477-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-17 US disclosed
WO-2015063011-A1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-07 WO disclosed
US-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-30 US disclosed
US-20150025065-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 US disclosed
WO-2015007669-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 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-20150025065-A1 NEW AZABENZIMIDAZOLE DERIVATIVES PRKAR2B, PRKAB1, PRKAB2 ESR2 440/4885LPL 2227/4885LIPG 2389/4885
US-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES PRKAR2B, PRKAB2, PRKAB1 ESR2 293/4885LPL 1759/4885LIPG 1915/4885

“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.