SCHEMBL13045705

SCHEMBL13045705

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.36
▸ PREP P48147 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ ARG1 P05089 1/20 0.31
▸ DPP9 Q86TI2 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
SCHEMBL14486765 0.84 DPP4 (0.40) DPP4PREPFAP
SCHEMBL10908256 0.80 GABRP (0.38) DPP4ARG1DPP9
SCHEMBL13142342 0.80 DPP4 (0.37) DPP4ARG1DPP9
Hydrochloric Acid SCHEMBL11341606 0.78 DPP4 (0.37) DPP4ARG1DPP9
SCHEMBL25129493 0.77 DPP4 (0.36) DPP4PREPFAP
SCHEMBL25129436 0.77 DPP4 (0.36) DPP4PREPFAP
SCHEMBL25129537 0.77 DPP4 (0.36) DPP4PREPFAP
SCHEMBL27489698 0.76 CHRNB2 (0.42) DPP4ARG1DPP9
SCHEMBL34463642 0.76 CHRNB2 (0.42) DPP4ARG1DPP9
SCHEMBL23965315 0.75 KMT2A (0.36) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404856-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-03-26 — — US disclosed
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ANTHONY NEVILLE J 2010-11-11 — — US disclosed
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 — — US disclosed
US-7781454-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 — — US disclosed
US-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME LLC 2008-11-06 — — US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 — — 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 (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-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors RNGTT, RRM2B, RRM2 DPP4 1285/4885PREP 333/4885FAP 3284/4885
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 DPP4 1285/4885PREP 333/4885FAP 3284/4885
US-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E DPP4 698/4885PREP 91/4885FAP 2862/4885
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2A, RRM2B DPP4 2001/4885PREP 403/4885FAP 2608/4885

“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.

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