SCHEMBL13229503

SCHEMBL13229503

CC(O)(c1c[nH]cn1)c1cccc2ccc(-c3cncc4ccccc34)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.43
CYP11B2 P19099 13/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
ERN1 O75460 4/20 0.39
WNT1 P04628 1/20 0.39
DYRK1A Q13627 1/20 0.39
PRKCZ Q05513 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CYP17A1 P05093 1/20 0.35

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
SCHEMBL15158579 0.83 NEK1 (0.32) ERN1DYRK1A
SCHEMBL13229504 0.73 CYP11B1 (0.42) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL8180467 0.68 SSTR4 (0.38) CYP11B1CYP11B2PRKCZ
SCHEMBL10548882 0.67 CASR (0.42)
SCHEMBL14066675 0.67 CYP3A4 (0.61) CYP2C19CYP3A4
SCHEMBL29501876 0.66 CYP11B1 (0.74) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL13229246 0.65 CYP2E1 (0.34) CYP2C9CYP2B6CYP2C19ERN1
SCHEMBL13517442 0.65 PRKCZ (0.46) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL20152370 0.65 TRPA1 (0.35)
SCHEMBL17854696 0.64 PRKCZ (0.57) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6

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 CYP11B1 248/4885CYP11B2 114/4885CYP2D6 1021/4885

“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.