Sugi Predict

Sugi Predict / Compounds / SCHEMBL7923463

SCHEMBL7923463

SCHEMBL7923463

NC1=N[C@]2(CCc3c(cccc3-c3ccc(-c4ccccc4)cc3)C2)CO1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ BACE1 P56817 6/20 0.37
▸ PRCP P42785 1/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ ANPEP P15144 2/20 0.33
▸ IL1RN P18510 1/20 0.33
▸ ERAP2 Q6P179 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ CTSD P07339 2/20 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
SCHEMBL7924157 0.98 TAAR1 (0.57) TAAR1ADRA2ABACE1PRCPHTR1A
SCHEMBL7926042 0.88 ADRA2A (0.67) TAAR1ADRA2ABACE1PRCPHTR1A
SCHEMBL7917908 0.88 ADRA2A (0.67) TAAR1ADRA2ABACE1PRCPHTR1A
SCHEMBL7920323 0.88 ADRA2A (0.67) TAAR1ADRA2ABACE1PRCPHTR1A
SCHEMBL12203542 0.86 TAAR1 (0.39) TAAR1ADRA2APRCPHTR1AHTR7
SCHEMBL7918292 0.85 ADRA2A (0.52) TAAR1ADRA2ABACE1CTSD
SCHEMBL7925689 0.85 ADRA2A (0.52) TAAR1ADRA2ABACE1CTSD
SCHEMBL7917914 0.85 TAAR1 (0.54) TAAR1ADRA2ABACE1CTSD
SCHEMBL7917980 0.85 TAAR1 (0.54) TAAR1ADRA2ABACE1CTSD
SCHEMBL7924445 0.85 TAAR1 (0.54) 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 7 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-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 (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-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A TAAR1 162/4885ADRA2A 3/4885BACE1 2516/4885

“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.