SCHEMBL13229552

SCHEMBL13229552

C(=C1\CCc2ccc(-c3ccccc3)cc21)\c1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.37
NTRK2 Q16620 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
CYP19A1 P11511 10/20 0.36
CYP11B2 P19099 8/20 0.36
CYP11B1 P15538 3/20 0.36
MIF P14174 2/20 0.36
CYP26A1 O43174 1/20 0.35
TDP2 O95551 1/20 0.33
MAOB P27338 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL13229520 0.93 CYP19A1 (0.39) TYRO3NTRK2CLK4DYRK1BCYP19A1
SCHEMBL13229282 0.85 CYP19A1 (0.37) CYP19A1CYP11B2CYP11B1
SCHEMBL13229550 0.85 CYP19A1 (0.37) CYP19A1CYP11B2CYP11B1
SCHEMBL13229548 0.83 CAMKK2 (0.37) MIF
SCHEMBL4235344 0.82 CYP11B2 (0.52) CYP19A1CYP11B2CYP11B1MIFMAOB
SCHEMBL13877092 0.82 CYP11B2 (0.52) CYP19A1CYP11B2CYP11B1MIFMAOB
SCHEMBL4235335 0.82 CYP11B2 (0.52) CYP19A1CYP11B2CYP11B1MIFMAOB
SCHEMBL4226665 0.80 CYP19A1 (0.44) CYP19A1CYP11B2CYP11B1MAOBPARP10
SCHEMBL4226487 0.80 CYP11B2 (0.44) CYP19A1CYP11B2CYP11B1PARP10
SCHEMBL4234960 0.80 CYP19A1 (0.48) CYP19A1CYP11B2CYP11B1MAOBPARP10

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 TYRO3 341/4885NTRK2 663/4885CLK4 1369/4885

“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.