Sugi Predict

Sugi Predict / Compounds / SCHEMBL7917672

SCHEMBL7917672

SCHEMBL7917672

COC(=O)C1(N)CCc2c(Br)ccc(OC)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ ERN1 O75460 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MTNR1A P48039 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
SCHEMBL28456745 0.92 KDM4E (0.38) CYP1A2HDAC1HDAC6KDM4EMAPT
SCHEMBL28456741 0.92 KDM4E (0.38) CYP1A2HDAC1HDAC6KDM4EMAPT
SCHEMBL12229328 0.85 CYP1A2 (0.42) CYP1A2HDAC1HDAC6KDM4EERN1
SCHEMBL12203744 0.85 CYP1A2 (0.34) CYP1A2HDAC1HDAC6KDM4EMAPT
SCHEMBL28054318 0.79 ADRA1A (0.38) CYP1A2KDM4EALDH1A1CYP3A4LMNA
SCHEMBL28449241 0.79 ADRA1A (0.38) CYP1A2KDM4EMAPTALDH1A1CCNT1
SCHEMBL11010508 0.79 ADRA1A (0.38) CYP1A2KDM4EMAPTALDH1A1CCNT1
SCHEMBL7917604 0.78 ADRA2A (0.47) CYP1A2MAPTMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL10914162 0.78 MTNR1A (0.45) CYP1A2MAPTMTNR1AMTNR1B
SCHEMBL12203650 0.77 MEN1 (0.36) MTNR1AMTNR1B

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 CYP1A2 114/4885HDAC1 2210/4885HDAC6 1468/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 CYP1A2 163/4885HDAC1 1737/4885HDAC6 1151/4885

“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.