SCHEMBL18017458

SCHEMBL18017458

Cc1nnc(-c2cncc(CN(C)C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c5ccccc5)N4C(=O)OC(C)(C)C)cc3)c2)o1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.39
MAPK14 Q16539 1/20 0.38
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
LIMK2 P53671 1/20 0.30
PRMT5 O14744 2/20 0.30
CETP P11597 2/20 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
SCHEMBL21278650 0.91 GPR119 (0.41) GPR119MAPK14KCNH2MCHR1LIMK2
SCHEMBL17986551 0.88 LIMK2 (0.33) GPR119LIMK2CETP
SCHEMBL18017459 0.88 GPR119 (0.31) GPR119LIMK2CETP
SCHEMBL16629857 0.87 CETP (0.36) GPR119LIMK2CETP
SCHEMBL18017460 0.87 CETP (0.34) GPR119LIMK2CETP
SCHEMBL16619381 0.87 CETP (0.36) GPR119LIMK2CETP
SCHEMBL17986542 0.87 GPR119 (0.39) GPR119LIMK2CETP
SCHEMBL17986544 0.87 GPR119 (0.39) GPR119LIMK2CETP
SCHEMBL16620144 0.87 GPR119 (0.39) GPR119LIMK2CETP
SCHEMBL17986536 0.87 CETP (0.35) GPR119LIMK2CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 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-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 GPR119 138/4885MAPK14 4047/4885KCNH2 571/4885

“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.