SCHEMBL13229239

SCHEMBL13229239

CC(=O)c1cccc2ccc(-c3cncnc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 1/20 0.42
DYRK1A Q13627 1/20 0.39
ABL1 P00519 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HASPIN Q8TF76 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
KAT6A Q92794 1/20 0.37
MAOB P27338 1/20 0.37
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL30017317 0.73 KDM4E (0.57) MTNR1ACYP1A2MAOBALDH1A1MAPT
SCHEMBL10391094 0.73 KDM4E (0.57) MTNR1ACYP1A2MAOBALDH1A1MAPT
SCHEMBL6303548 0.73 CYP2A6 (0.55) MTNR1ACYP1A2CNR2MAOBALDH1A1
SCHEMBL25986597 0.73 ALDH1A1 (0.61) MTNR1AMAOBALDH1A1MAPTHPGD
SCHEMBL38664747 0.73 ALDH1A1 (0.61) MTNR1AMAOBALDH1A1MAPTHPGD
SCHEMBL13229219 0.72 DYRK1A (0.38) ERN1DYRK1AABL1HASPINKCNH2
SCHEMBL24492825 0.72 ATM (0.47) ERN1CYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL11586254 0.71 KDM4E (0.55) MTNR1ACYP1A2MAOBALDH1A1MAPT
SCHEMBL38662473 0.71 KDM4E (0.55) MTNR1ACYP1A2MAOBALDH1A1MAPT
SCHEMBL4537274 0.71 MEN1 (0.45) MTNR1AMAOBATMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION AND PHARMACOPEIA, LLC (US) 2010-08-05 US disclosed
US-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION AND PHARMACOPEIA, LLC (US) 2010-08-05 US disclosed
WO-2008100456-A2 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 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-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRB3 ERN1 4100/4885MTNR1A 119/4885MTNR1B 107/4885

“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.