SCHEMBL6021

SCHEMBL6021

Cc1ccccc1NC1=NCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.65
ADRA2B P18089 2/20 0.65
ADRA2C P18825 2/20 0.65
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL6056 0.86 POLB (0.59) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL5992 0.83 POLB (0.60) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL6475 0.83 ADRA2A (0.62) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL6104 0.81 POLB (0.54) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL6400 0.80 POLB (0.87) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL5534 0.79 ADRA2A (1.00) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL6690739 0.77 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL10857050 0.77 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL10857752 0.77 POLB (0.49) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL5565 0.77 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238615-A1 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2012-09-20 US claimed
CN-102666484-A Adrenergic receptor modulators ALLERGAN INC 2012-09-12 CN claimed
EP-2491017-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-29 EP claimed
WO-2011050030-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-28 WO claimed
EP-2491017-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2014-08-27 EP disclosed
US-20120238615-A1 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2012-09-20 US disclosed
CN-102666484-A Adrenergic receptor modulators ALLERGAN INC 2012-09-12 CN disclosed
EP-2491017-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-29 EP disclosed
WO-2011050030-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-28 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-20120238615-A1 Alpha adrenergic receptor modulators ADRA2C, ADRB2, ADRB1 ADRA2A 4/4885ADRA2B 6/4885ADRA2C 1/4885

“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.