SCHEMBL3068

SCHEMBL3068

C=CCC1COCCC1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.33
PRSS1 P07477 2/20 0.31
CTRC Q99895 2/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL19285328 1.00 FAAH (0.33) FAAHPRSS1CTRCF2
SCHEMBL19285136 1.00 FAAH (0.33) FAAHPRSS1CTRCF2
SCHEMBL14101011 0.82 NOS2 (0.30)
SCHEMBL16635198 0.80
SCHEMBL10332 0.79 FAAH (0.41) FAAH
SCHEMBL8549021 0.78 NOS2 (0.47)
SCHEMBL9093089 0.78 NOS2 (0.47)
SCHEMBL14635516 0.74
SCHEMBL19337941 0.74
SCHEMBL3327529 0.74

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306107-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2022-04-19 US disclosed
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-07-29 US disclosed
WO-2017147410-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2017-08-31 WO disclosed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
EP-2485737-B1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
EP-2485737-B1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
WO-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
WO-2007053498-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-20060089379-A1 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-04-27 US disclosed
EP-1501803-A4 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-04-26 EP disclosed
EP-1501803-A2 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2003093231-A2 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2003-11-13 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 (4 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-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 FAAH 1216/4885PRSS1 709/4885CTRC 3042/4885
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 FAAH 4460/4885PRSS1 2537/4885CTRC 4187/4885
US-11306107-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 FAAH 4460/4885PRSS1 2537/4885CTRC 4187/4885
US-20060089379-A1 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity CCR2, CCR5, CCR1 FAAH 2033/4885PRSS1 2202/4885CTRC 2037/4885

“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.