SCHEMBL4372649

SCHEMBL4372649

C=C1c2ccccc2CCC1c1ncc[nH]1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.65
ADRA1D P25100 6/20 0.55
ADRA2A P08913 4/20 0.55
ADRA1B P35368 3/20 0.55
CYP19A1 P11511 1/20 0.43

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
SCHEMBL966691 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA2AADRA1B
SCHEMBL31484206 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA2AADRA1B
SCHEMBL4169374 0.74 ADRA1A (0.55) ADRA1AADRA1DADRA2AADRA1BCYP19A1
SCHEMBL9450262 0.72 ADRA1A (0.40) ADRA1AADRA2A
SCHEMBL14972367 0.71 ADRA1A (0.61) ADRA1AADRA1DADRA2AADRA1B
SCHEMBL769101 0.71 ADRA1A (1.00) ADRA1AADRA1DADRA2AADRA1B
SCHEMBL30218164 0.70 ADRA1A (0.52) ADRA1AADRA1DADRA2AADRA1B
SCHEMBL22284890 0.69 ADRA1A (0.68) ADRA1AADRA1DADRA2AADRA1B
SCHEMBL23848923 0.67 KDM4E (0.46) CYP19A1
SCHEMBL9148202 0.66 CYP19A1 (0.61) CYP19A1

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-20090105278-A1 Selective inhibitors of human corticosteroid syntheses UNIVERSITAT DES SAARLANDES (DE) 2009-04-23 US disclosed
EP-1768654-A2 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHESES Universität des Saarlandes (DE) 2007-04-04 EP disclosed
WO-2006008316-A2 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHESES Universität des Saarlandes (DE) 2006-01-26 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-20090105278-A1 Selective inhibitors of human corticosteroid syntheses HSD11B1, HSD11B2, CYP11B1 ADRA1A 287/4885ADRA1D 285/4885ADRA2A 372/4885

“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.