SCHEMBL16619248

SCHEMBL16619248

CNCc1cncc(C(C)(C)O)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 15/20 0.38
CYP11B1 P15538 11/20 0.38
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
DYRK1A Q13627 1/20 0.35
EPHX2 P34913 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL13765798 0.85 PRMT6 (0.37) CYP11B2CYP11B1CYP19A1DYRK1AEPHX2
SCHEMBL5018942 0.80 CYP11B1 (0.46) CYP11B2CYP11B1EPHX2PRMT6NOS1
SCHEMBL31322834 0.79 CYP11B2 (0.40) CYP11B2CYP11B1CYP19A1CYP2C9
SCHEMBL19407165 0.79 CYP11B2 (0.40) CYP11B2CYP11B1CYP19A1CYP2C9
SCHEMBL16619651 0.73 P2RX7 (0.37) CYP11B2CYP11B1
SCHEMBL21278561 0.73 CYP2A6 (0.41) CYP11B2CYP11B1DYRK1AEPHX2PRMT6
SCHEMBL7939338 0.72 CYP11B2 (0.46) CYP11B2CYP11B1CYP19A1CYP2C9
SCHEMBL10061636 0.71 CYP11B1 (0.43) CYP11B2CYP11B1CYP2C9EPHX2PRMT6
SCHEMBL13771813 0.71 PRMT6 (0.40) DYRK1AEPHX2PRMT6NOS1NOS2
SCHEMBL20283130 0.71 LOXL2 (0.47) CYP2C9EPHX2NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052099-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2019-08-21 EP disclosed
EP-3052099-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2019-08-21 EP disclosed
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-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
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
EP-3052099-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2016-08-10 EP disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO 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 CYP11B2 330/4885CYP11B1 343/4885CYP19A1 2823/4885

“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.