SCHEMBL12404759

SCHEMBL12404759

Clc1cccc2c1OCCN2Cc1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
AKT1 P31749 1/20 0.35
HTR6 P50406 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1A P35348 1/20 0.34
PTGIR P43119 1/20 0.33
DRD2 P14416 2/20 0.33
CNR1 P21554 3/20 0.32
GRM5 P41594 1/20 0.32
ADRB2 P07550 1/20 0.32
AGTR1 P30556 1/20 0.32
GLP1R P43220 1/20 0.32
CX3CR1 P49238 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ADGRF1 Q5T601 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CYP2A13 Q16696 1/20 0.31

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
SCHEMBL12404761 0.85 PIK3CB (0.36) HTR6ADRA2ADRD2GRM5
SCHEMBL12405507 0.83 GRM5 (0.33) PTGIRDRD2GRM5
SCHEMBL12404760 0.83 SLC5A1 (0.30)
SCHEMBL12405582 0.82 CYP11B1 (0.36) HTR6DRD2GRM5
SCHEMBL3526671 0.82 GRM5 (0.46) NOTUMGRM5
SCHEMBL3529275 0.79 NOTUM (0.39) NOTUMAKT1HTR6ADRA2AADRA2B
SCHEMBL12474944 0.78 TNIK (0.31)
SCHEMBL12405858 0.78
SCHEMBL12405501 0.78 SIRT1 (0.37) PTGIRGRM5
SCHEMBL12405572 0.78 LTA4H (0.34) GRM5

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
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 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 (3 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-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A NOTUM 4062/4885AKT1 3237/4885HTR6 241/4885
US-20070093477-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A NOTUM 4062/4885AKT1 3237/4885HTR6 241/4885
US-20080039439-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A NOTUM 4062/4885AKT1 3237/4885HTR6 241/4885

“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.