SCHEMBL5477

SCHEMBL5477

Fc1c(Cl)cccc1NC1=NCCC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.71
ADRA2B P18089 1/20 0.71
ADRA2C P18825 1/20 0.71
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.47
ALOX15 P16050 2/20 0.43
GRM4 Q14833 1/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5534 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CKMT2APOLB
SCHEMBL5784 0.81 ADRA2A (0.71) ADRA2AADRA2BADRA2CKMT2APOLB
SCHEMBL5586 0.78 ADRA2A (0.67) ADRA2AADRA2BADRA2CKMT2APOLB
SCHEMBL6526 0.78 ADRA2A (0.66) ADRA2AADRA2BADRA2CKMT2APOLB
SCHEMBL5896 0.75 ADRA2A (0.54) ADRA2AADRA2BADRA2CKMT2APOLB
SCHEMBL6475 0.75 ADRA2A (0.62) ADRA2AADRA2BADRA2CKMT2APOLB
SCHEMBL20246768 0.75 KMT2A (0.47) ADRA2AADRA2BADRA2CKMT2AALOX15
Hydrochloric Acid SCHEMBL10369396 0.74 ADRA2A (0.60) ADRA2AADRA2BADRA2CKMT2APOLB
SCHEMBL10817884 0.73 ADRA2A (0.59) ADRA2AADRA2BADRA2CKMT2APOLB
SCHEMBL1669804 0.72 ADRA2A (0.67) ADRA2AADRA2BADRA2CKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491017-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2014-08-27 EP claimed
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.