SCHEMBL7928900

SCHEMBL7928900

COc1ccc(Br)c2c1CC1(CC2)COC(N)=N1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
ADRA2A P08913 2/20 0.47
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP19A1 P11511 1/20 0.34
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
BACE1 P56817 2/20 0.30
CTSD P07339 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
SCHEMBL7924306 0.95 TAAR1 (0.47) TAAR1ADRA2ACYP1A2KDM4ECYP19A1
SCHEMBL12203745 0.84 TAAR1 (0.50) TAAR1ADRA2ABACE1
SCHEMBL7932270 0.80 TAAR1 (0.42) TAAR1ADRA2ABACE1CTSD
SCHEMBL7924702 0.80 TAAR1 (0.42) TAAR1ADRA2ABACE1CTSD
SCHEMBL7924527 0.80 TAAR1 (0.42) TAAR1ADRA2ABACE1CTSD
SCHEMBL7917660 0.80 CYP1A2 (0.41) CYP1A2KDM4EHDAC1HDAC6
SCHEMBL7932312 0.79 TAAR1 (0.46) TAAR1ADRA2AHDAC1HDAC6BACE1
SCHEMBL7916224 0.79 TAAR1 (0.42) TAAR1ADRA2A
SCHEMBL7927605 0.79 TAAR1 (0.50) TAAR1ADRA2ABACE1
SCHEMBL7924297 0.78 TAAR1 (0.42) TAAR1ADRA2ABACE1CTSD

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 6 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-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-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
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-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A TAAR1 162/4885ADRA2A 3/4885CYP1A2 114/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 TAAR1 145/4885ADRA2A 4/4885CYP1A2 163/4885

“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.