SCHEMBL6656541

SCHEMBL6656541

CC(C)N(C)C(=O)C(C)(C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
DPP4 P27487 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
SCHEMBL28539062 0.80 POLB (0.32) POLBDPP4
SCHEMBL5518522 0.79 ALDH1A1 (0.32) POLB
SCHEMBL8570280 0.79 POLB (0.34) POLBDPP4
SCHEMBL23869968 0.73 POLB (0.31) POLB
SCHEMBL26700648 0.73 POLB (0.31) POLB
SCHEMBL16000128 0.72 CHRM2 (0.50)
SCHEMBL613970 0.71 RIPK1 (0.42)
SCHEMBL22809834 0.71 POLB (0.30) POLB
SCHEMBL23370118 0.71 AOC2 (0.35) POLB
SCHEMBL5512354 0.71 FAAH (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-7176205-B2 Bi-pyridinyl derivatives as NK-1 antagonists HOFFMANN-LA ROCHE INC. (US) 2007-02-13 US disclosed
EP-1182191-B1 Method for making amides INT FLAVORS & FRAGRANCES INC (US) 2004-07-14 EP disclosed
US-6437183-B1 REACTING NITRILE COMPOUNDS WITH SULFATE COMPOUNDS IN DIOL OR TRIOL SOLVENT INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-08-20 US disclosed
US-20020028969-A1 Method for making amides INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-03-07 US disclosed
EP-1182191-A1 Method for making amides INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2002-02-27 EP disclosed
US-6303817-B1 MORE SPECIFICALLY A METHOD OF MAKING BUTANAMIDES IN A NEW PROCESS; REACTION OF NITRILE COMPOUNDS AND A SULFATE COMPOUND INTERNATIONAL FLAVORS & FRAGRANCES INC. 2001-10-16 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 (3 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-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 POLB 1465/4885DPP4 558/4885
US-20020028969-A1 Method for making amides NAAA, NIT2, SULT2A1 POLB 2923/4885DPP4 1639/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC POLB 1536/4885DPP4 829/4885

“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.