SCHEMBL7922850

SCHEMBL7922850

COc1ccc(-c2cccc3c2C[C@@]2(C3)N=C(N)O[C@@H]2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
JAK2 O60674 1/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CYP2A6 P11509 1/20 0.34
KCNH2 Q12809 5/20 0.34
GRM5 P41594 1/20 0.33
PIK3CA P42336 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
FYN P06241 1/20 0.32
SLC18A3 Q16572 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
SCHEMBL7922846 0.86 PDK2 (0.34) BRD4CREBBP
SCHEMBL7929930 0.83 BACE1 (0.36)
SCHEMBL7932573 0.82 MAOB (0.30)
SCHEMBL7929059 0.81 CYP11B1 (0.39) MKNK1MKNK2KCNH2
SCHEMBL7929344 0.81 BACE1 (0.33)
SCHEMBL7932538 0.81 ADRA1D (0.35) PIK3CA
SCHEMBL7928176 0.81 BACE1 (0.41) KCNH2
SCHEMBL7925719 0.81 BACE1 (0.35)
SCHEMBL7929352 0.81 BACE1 (0.34) KCNH2
SCHEMBL12203875 0.81 BACE1 (0.34) KCNH2

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 12 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
US-8324213-B2 Biaryl-spiroaminooxazoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2012-12-04 US disclosed
US-8324213-B2 Biaryl-spiroaminooxazoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2012-12-04 US disclosed
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-10-13 US disclosed
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-10-13 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 (3 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 BRD4 648/4885CREBBP 1427/4885JAK2 1872/4885
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A BRD4 784/4885CREBBP 1375/4885JAK2 1210/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 BRD4 473/4885CREBBP 1539/4885JAK2 1789/4885

“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.