SCHEMBL12767550

SCHEMBL12767550

Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)C2

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.78
▸ DPP8 Q6V1X1 12/20 0.78
▸ DPP7 Q9UHL4 2/20 0.78
▸ DPP9 Q86TI2 2/20 0.59

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
SCHEMBL1071184 0.88 DPP4 (0.98) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL6915483 0.87 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL13593625 0.87 DPP4 (0.84) DPP4DPP8DPP7DPP9
SCHEMBL15024075 0.86 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL2667453 0.86 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL14267898 0.86 DPP4 (0.78) DPP4DPP8DPP7DPP9
SCHEMBL7902672 0.86 DPP4 (0.78) DPP4DPP8DPP7DPP9
SCHEMBL6853393 0.86 DPP4 (0.78) DPP4DPP8DPP7DPP9
SCHEMBL12767537 0.85 DPP4 (0.81) DPP4DPP8DPP7DPP9
SCHEMBL2667449 0.85 DPP4 (0.78) DPP4DPP8DPP7DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906503-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. (US) 2011-03-15 — — US disclosed
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MEEHAN ALAN 2011-01-20 — — US disclosed
US-7728141-B2 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. (US) 2010-06-01 — — US disclosed
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. 2009-03-12 — — US disclosed
US-7485732-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK & CO., INC. (US) 2009-02-03 — — US disclosed
US-7390835-B2 Aralkyl amines as cannabinoid receptor modulators MERCK & CO., INC. (US) 2008-06-24 — — US disclosed
US-20080076805-A1 Acyclic Hydrazides as Cannabinoid Receptor Modulators MERCK SHARP & DOHME CORP. 2008-03-27 — — US disclosed
US-20070088058-A1 3-(1(S)(4-chlorobenzyl)-2(S)-((2-hydroxy-2-methyl-1-phenylpropyl)amino)propyl)-benzonitrile; obesity; potentiation; antagonists MERCK SHARP & DOHME CORP. 2007-04-19 — — US disclosed
US-20070032517-A1 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. 2007-02-08 — — 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 (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-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS CYP17A1, SHBG, CYP21A2 DPP4 158/4885DPP8 378/4885DPP7 263/4885
US-20080076805-A1 Acyclic Hydrazides as Cannabinoid Receptor Modulators CNR1, CNR2, FAAH DPP4 1050/4885DPP8 2315/4885DPP7 2326/4885
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives CNR1, CNR2, MAG DPP4 1435/4885DPP8 2304/4885DPP7 1963/4885
US-20070088058-A1 3-(1(S)(4-chlorobenzyl)-2(S)-((2-hydroxy-2-methyl-1-phenylpropyl)amino)propyl)-benzonitrile; obesity; potentiation; antagonists CNR2, CNR1, CHRNA4 DPP4 1734/4885DPP8 3701/4885DPP7 2445/4885
US-20070032517-A1 Substituted naphthyridinone derivatives CNR1, CNR2, MAG DPP4 2758/4885DPP8 2453/4885DPP7 2750/4885

“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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