SCHEMBL6865392

SCHEMBL6865392

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(F)(F)F)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
HSD11B1 P28845 2/20 0.51
CYP2C9 P11712 1/20 0.51
USP30 Q70CQ3 10/20 0.51
HDAC4 P56524 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 2/20 0.45
PARP1 P09874 1/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1457410 1.00 EPHX1 (0.55) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL24817359 1.00 EPHX1 (0.55) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL8273736 0.92 USP30 (0.54) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL555950 0.92 USP30 (0.54) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL13712552 0.91 EPHX1 (0.55) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL438437 0.91 EPHX1 (0.65) EPHX1HDAC4ALDH1A1NPC1MAPT
SCHEMBL30948838 0.88 EPHX1 (0.57) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL15885465 0.88 EPHX1 (0.46) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL29012284 0.87 HSD11B1 (0.42) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL2515885 0.86 EPHX1 (0.67) EPHX1USP30HDAC4HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590978-B1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY FOB SYNTHESIS INC (US) 2017-09-20 EP disclosed
US-20150306071-A1 Carbapenem Antibacterials with Gram-Negative Activity CHOI, WOO-BAEG, DR. 2015-10-29 US disclosed
US-9149461-B2 Carbapenem antibacterials with gram-negative activity FOB SYNTHESIS, INC. (US) 2015-10-06 US disclosed
US-20130172313-A1 Carbapenem Antibacterials with Gram-Negative Activity FOB SYNTHESIS, INC. (US) 2013-07-04 US disclosed
WO-2011160020-A2 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY FOB SYNTHESIS (US) 2011-12-22 WO disclosed
US-20090239929-A1 N-Pyrrolidin-3-YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US disclosed
US-20090239929-A1 N-Pyrrolidin-3-YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1404338-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES Aventis Pharma Deutschland GmbH (DE) 2004-04-07 EP disclosed
US-20030176390-A1 Methods of treating insulin resistance syndrome and diabetes HERLING ANDREAS (DE) 2003-09-18 US disclosed
EP-0912520-B1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES AVENTIS PHARM PROD INC (US) 2003-05-07 EP disclosed
US-6559313-B2 Adenosine derivatives such as (1S,2R,3S,4R)-2,3-dihydroxy-4-(6-(1-(4-trifluormethylpyridin-2-yl)pyrrolidin-3(S)-yl-amino)purin-9-yl)cyclopentanecarboxylic acid isopropylamide AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-06 US disclosed
WO-2002092093-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-21 WO disclosed
EP-1258247-A1 Adenosine analogues for the treatment of insulin resistance syndrome and diabetes Aventis Pharma Deutschland GmbH (DE) 2002-11-20 EP disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-25 US disclosed
US-6376472-B1 N6-SUBSTITUTED ADENOSINES AVENTIS PHARMACEUTICALS, INC. 2002-04-23 US disclosed
WO-2000023447-A1 ADENOSINE ANALOGUES HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC ANTILIPOLYTIC PROPERTIES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-04-27 WO disclosed
EP-0912520-A4 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE POULENC RORER PHARMA (US) 1999-10-06 EP disclosed
EP-0912520-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-05-06 EP disclosed
WO-1998001426-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-01-15 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 (5 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-20090239929-A1 N-Pyrrolidin-3-YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors TPH1, TPH2, HTR1A EPHX1 856/4885HSD11B1 204/4885CYP2C9 129/4885
US-20130172313-A1 Carbapenem Antibacterials with Gram-Negative Activity MGAM, GSK3B, GSK3A EPHX1 3387/4885HSD11B1 586/4885CYP2C9 2130/4885
US-20150306071-A1 Carbapenem Antibacterials with Gram-Negative Activity MGAM, GSK3B, GSK3A EPHX1 3387/4885HSD11B1 586/4885CYP2C9 2130/4885
US-20030176390-A1 Methods of treating insulin resistance syndrome and diabetes IAPP, GPR119, INSR EPHX1 1715/4885HSD11B1 101/4885CYP2C9 830/4885
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties HMGCR, TGFB1, APOB EPHX1 276/4885HSD11B1 258/4885CYP2C9 3375/4885

“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.