SCHEMBL12079268

SCHEMBL12079268

CC(C)(C)Nc1ccc([C@@H](O)[C@H]2CC[C@@H](Cc3ccc(C(=O)O)cc3)N2C(=O)OC(C)(C)C)cn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 17/20 0.35
HDAC1 Q13547 1/20 0.34
CETP P11597 1/20 0.33
GRIN2B Q13224 1/20 0.32

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
SCHEMBL12088701 1.00 VNN1 (0.35) VNN1HDAC1CETPGRIN2B
SCHEMBL12079269 1.00 VNN1 (0.35) VNN1HDAC1CETPGRIN2B
SCHEMBL12089061 0.93 VNN1 (0.35) VNN1HDAC1
SCHEMBL16215868 0.93 HDAC1 (0.36) VNN1HDAC1CETP
SCHEMBL12089280 0.91 GPR119 (0.37) VNN1
SCHEMBL16215914 0.91 GPR119 (0.37) VNN1
SCHEMBL18017379 0.87 ADRB1 (0.38) HDAC1CETP
SCHEMBL16620038 0.87 ADRB1 (0.38) HDAC1CETP
SCHEMBL16620041 0.87 ADRB1 (0.38) HDAC1CETP
SCHEMBL12089056 0.85 VNN1 (0.35) VNN1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470012-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-11-05 EP disclosed
US-8604038-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-12-10 US disclosed
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-09-06 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 (1 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-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 VNN1 4056/4885HDAC1 3056/4885CETP 2333/4885

“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.