SCHEMBL7925052

SCHEMBL7925052

O=C1NCC2(CCc3c(cccc3-c3ccsc3)C2)N1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
ADRA2A P08913 1/20 0.31
PTPRC P08575 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
SCHEMBL7926882 0.81 POLB (0.33) CYP11B1CYP11B2POLBALDH1A1ADRA2A
SCHEMBL7929323 0.75 PARP10 (0.37) POLBALDH1A1ADRA2A
SCHEMBL7924489 0.72 PDCD1 (0.34) CYP19A1CYP11B1CYP11B2
SCHEMBL7925953 0.72 PDCD1 (0.34) CYP19A1CYP11B1CYP11B2
SCHEMBL7923593 0.72 PDCD1 (0.34) CYP19A1CYP11B1CYP11B2
SCHEMBL7924342 0.72 PDCD1 (0.35) CYP19A1CYP11B1CYP11B2ADRA2A
SCHEMBL7929440 0.72 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2ADRA2A
SCHEMBL7919639 0.72 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2ADRA2A
SCHEMBL7919636 0.72 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2ADRA2A
SCHEMBL7924612 0.72 PDCD1 (0.35) CYP19A1CYP11B1CYP11B2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2013-08-29 US disclosed
US-8476274-B2 Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-8476274-B2 Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP (US) 2013-02-21 US disclosed
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP (US) 2013-02-21 US disclosed
WO-2010042473-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 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 (2 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-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A CYP19A1 1307/4885CYP11B1 220/4885CYP11B2 56/4885
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A CYP19A1 1697/4885CYP11B1 311/4885CYP11B2 71/4885

“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.