SCHEMBL13229261

SCHEMBL13229261

c1ncc(-c2ccc3c(c2)C(Cc2c[nH]cn2)CCO3)cn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
JAK1 P23458 4/20 0.33
JAK3 P52333 4/20 0.33
JAK2 O60674 3/20 0.33
TYK2 P29597 3/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4C Q9H3R0 3/20 0.32
ABL1 P00519 1/20 0.32
BACE1 P56817 6/20 0.32
KCNH2 Q12809 2/20 0.32
CTSD P07339 3/20 0.32

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
SCHEMBL13229275 0.81 PPARD (0.40) PPARDPPARAJAK1JAK3JAK2
SCHEMBL16691826 0.78 KCNH2 (0.36) KCNH2
SCHEMBL13234098 0.77 KDM4C (0.33) ADRA2AKDM4CBACE1
SCHEMBL13233928 0.77 TERT (0.33) ADRA2AKDM4C
SCHEMBL13233932 0.76 RAB9A (0.41)
SCHEMBL15158566 0.76 BACE1 (0.33) CYP11B1CYP11B2KDM4CBACE1KCNH2
SCHEMBL14117478 0.75 KDM4C (0.33) ADRA2APPARDPPARACYP11B1CYP11B2
SCHEMBL13233919 0.74 MAPT (0.32) KDM4C
SCHEMBL13233935 0.74 CYP1A2 (0.45) KDM4C
SCHEMBL13233913 0.74 NPSR1 (0.36) JAK2

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 4 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

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 ADRA2A 4/4885PPARD 952/4885PPARA 906/4885

“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.