SCHEMBL15216778

SCHEMBL15216778

CC1=NC2(CC1)CCc1c(cccc1-c1cncnc1)C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
BACE1 P56817 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM5 P41594 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PDK2 Q15119 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL15216779 1.00 CYP11B1 (0.33) CYP11B1CYP11B2CYP17A1CYP19A1BACE1
SCHEMBL15216781 1.00 CYP11B1 (0.33) CYP11B1CYP11B2CYP17A1CYP19A1BACE1
SCHEMBL7918290 0.83 TAAR1 (0.38) CYP11B1CYP11B2BACE1
SCHEMBL7925882 0.83 CYP11B1 (0.33) CYP11B1CYP11B2CYP17A1CYP19A1GRM5
SCHEMBL12203507 0.83 TAAR1 (0.38) CYP11B1CYP11B2BACE1
SCHEMBL7924554 0.83 CYP11B1 (0.33) CYP11B1CYP11B2CYP17A1CYP19A1GRM5
SCHEMBL12203433 0.83 TAAR1 (0.38) CYP11B1CYP11B2BACE1
SCHEMBL7916694 0.83 CYP11B1 (0.33) CYP11B1CYP11B2CYP17A1CYP19A1GRM5
SCHEMBL7918096 0.82 GRM5 (0.31) CYP11B1CYP11B2GRM5
SCHEMBL7925936 0.82 GRM5 (0.31) CYP11B1CYP11B2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2013-08-29 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-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A CYP11B1 220/4885CYP11B2 56/4885CYP17A1 815/4885

“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.