SCHEMBL13229282

SCHEMBL13229282

C(=C1\CCc2ccc(-c3cncnc3)cc21)\c1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.37
CYP11B2 P19099 15/20 0.37
CYP11B1 P15538 10/20 0.37

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
SCHEMBL13229550 1.00 CYP19A1 (0.37) CYP19A1CYP11B2CYP11B1
SCHEMBL13229253 0.93 CYP19A1 (0.42) CYP19A1CYP11B2CYP11B1
SCHEMBL13229104 0.93 CYP19A1 (0.42) CYP19A1CYP11B2CYP11B1
SCHEMBL13229552 0.85 TYRO3 (0.37) CYP19A1CYP11B2CYP11B1
SCHEMBL13229100 0.81 CYP11B1 (0.32) CYP11B2CYP11B1
SCHEMBL13229272 0.81 CYP11B1 (0.32) CYP11B2CYP11B1
SCHEMBL13229518 0.80 CYP19A1 (0.39) CYP19A1CYP11B2CYP11B1
SCHEMBL4226665 0.78 CYP19A1 (0.44) CYP19A1CYP11B2CYP11B1
SCHEMBL4234962 0.78 CYP19A1 (0.48) CYP19A1CYP11B2CYP11B1
SCHEMBL4226486 0.78 CYP11B2 (0.44) CYP19A1CYP11B2CYP11B1

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 CYP19A1 1087/4885CYP11B2 114/4885CYP11B1 248/4885

“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.