SCHEMBL10025870

SCHEMBL10025870

Cc1cccc(C(Cc2cccnc2)NC2=NCCO2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
P2RX7 Q99572 2/20 0.36
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
TSHR P16473 2/20 0.33
SCN8A Q9UQD0 1/20 0.33
GMNN O75496 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
HIF1A Q16665 1/20 0.33
NISCH Q9Y2I1 1/20 0.33

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
SCHEMBL1157016 0.91 CYP1A2 (0.38) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15310108 0.88 TAAR1 (0.39) TAAR1P2RX7CYP1A2CYP3A4CYP2D6
SCHEMBL3415726 0.88 TAAR1 (0.40) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3670063 0.86 TAAR1 (0.36) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12637716 0.85 TAAR1 (0.35) TAAR1P2RX7ADRA2AADRA1ACFB
SCHEMBL3804757 0.85 CFB (0.36) TAAR1ADRA2AADRA1ACFB
SCHEMBL1156800 0.83 DRD2 (0.37) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1157133 0.81 CYP3A4 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1156686 0.80 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1157356 0.80 TAAR1 (0.37) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10251865-B2 Method of activating regulatory T cells with alpha-2B adrenergic receptor agonists ALLERGAN, INC. (US) 2019-04-09 US disclosed
EP-3332782-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2018-06-13 EP disclosed
US-20180071259-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. 2018-03-15 US disclosed
US-20180071259-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. 2018-03-15 US disclosed
US-20170079956-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. 2017-03-23 US disclosed
US-20170079956-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. 2017-03-23 US disclosed
US-9545394-B2 Method of activating regulatory T cells with alpha-2B adrenergic receptor agonists ALLERGAN, INC. (US) 2017-01-17 US disclosed
US-9545394-B2 Method of activating regulatory T cells with alpha-2B adrenergic receptor agonists ALLERGAN, INC. (US) 2017-01-17 US disclosed
US-20160158199-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. 2016-06-09 US disclosed
US-20160158199-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. 2016-06-09 US disclosed
US-9289420-B2 Method of activating regulatory T cells with alpha-2B adrenergic receptor agonists ALLERGAN, INC. (US) 2016-03-22 US disclosed
US-9289420-B2 Method of activating regulatory T cells with alpha-2B adrenergic receptor agonists ALLERGAN, INC. (US) 2016-03-22 US disclosed
US-20140066483-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2014-03-06 US disclosed
US-20140066483-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2014-03-06 US disclosed
US-8575207-B2 Method of activating regulatory T cells with alpha-2B adrenergic receptor agonists ALLERGAN, INC. (US) 2013-11-05 US disclosed
EP-2240468-B1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2013-10-16 EP disclosed
WO-2012024161-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2012-02-23 WO disclosed
US-20120041031-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC (US) 2012-02-16 US disclosed
US-20120041031-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC (US) 2012-02-16 US 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 (6 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-20120041031-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ADRA2B, ADRB2, ADRA2A TAAR1 267/4885P2RX7 291/4885CYP1A2 688/4885
US-20180071259-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ADRA2B, ADRB2, ADRA2A TAAR1 263/4885P2RX7 305/4885CYP1A2 585/4885
US-20140066483-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ADRA2B, ADRB2, ADRA2A TAAR1 267/4885P2RX7 291/4885CYP1A2 688/4885
US-20160158199-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ADRA2B, ADRB2, ADRA2A TAAR1 263/4885P2RX7 305/4885CYP1A2 585/4885
US-20170079956-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ADRA2B, ADRB2, ADRA2A TAAR1 280/4885P2RX7 301/4885CYP1A2 514/4885
US-10251865-B2 Method of activating regulatory T cells with alpha-2B adrenergic receptor agonists ADRA2B, ADRB2, ADRA2A TAAR1 263/4885P2RX7 305/4885CYP1A2 585/4885

“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.