SCHEMBL7944637

SCHEMBL7944637

c1ccc2c(c1)CCC1C(c3cnc[nH]3)C21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 1.00
CYP19A1 P11511 5/20 1.00
CYP17A1 P05093 1/20 0.57
ADRA2A P08913 7/20 0.51
ADRA2B P18089 5/20 0.51
ADRA2C P18825 5/20 0.51
ADRA1B P35368 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 1/20 0.39

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
SCHEMBL12355112 0.80 CYP19A1 (0.71) CYP11B2CYP19A1CYP17A1ADRA2AADRA2B
SCHEMBL13196399 0.80 ADRA2A (0.71) CYP11B2CYP19A1ADRA2AADRA2BADRA2C
SCHEMBL7943729 0.77 CYP19A1 (1.00) CYP11B2CYP19A1CYP17A1SMN1; SMN2
SCHEMBL779556 0.76 ADRA2A (0.64) CYP11B2CYP19A1ADRA2AADRA2BADRA2C
SCHEMBL18826066 0.70 CYP19A1 (0.54) CYP11B2CYP19A1ADRA2AADRA2BADRA2C
SCHEMBL18826073 0.68 HRH3 (0.52) CYP11B2CYP19A1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9529847 0.67 HRH3 (0.50) CYP11B2CYP19A1ADRA2AADRA2BADRA2C
SCHEMBL27387166 0.67 HTR6 (0.50) CYP11B2CYP19A1
SCHEMBL4372076 0.66 KDM1A (0.63) CYP11B2CYP19A1CYP17A1
SCHEMBL14653364 0.64 CYP11B2 (0.52) CYP11B2CYP19A1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2011-08-04 US disclosed
US-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2011-08-04 US disclosed
WO-2010017120-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2010-02-11 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-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR ADRA2C, ADRB2, ADRA2A CYP11B2 43/4885CYP19A1 677/4885CYP17A1 567/4885

“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.