SCHEMBL7899266

SCHEMBL7899266

COc1cncc(Oc2ccc3c(c2)CCC3NS(=O)(=O)C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
GRIA2 P42262 1/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
TRPV1 Q8NER1 1/20 0.39
CYP19A1 P11511 2/20 0.38
ACHE P22303 2/20 0.37
CCR2 P41597 1/20 0.37
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GCK P35557 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL7899290 0.79 GRIA2 (0.42) PDE4APDE4BPDE4CPDE4DGRIA2
SCHEMBL7889347 0.79 GRIA2 (0.48) PDE4APDE4BPDE4CPDE4DGRIA2
SCHEMBL7896364 0.77 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DGRIA2
SCHEMBL11899835 0.76 GRIA2 (0.48) PDE4APDE4BPDE4CPDE4DGRIA2
SCHEMBL11898573 0.75 GRIA2 (0.39) PDE4APDE4BPDE4CPDE4DGRIA2
SCHEMBL7898009 0.74 GRIA2 (0.48) PDE4APDE4BPDE4CPDE4DGRIA2
SCHEMBL7897283 0.74 GRIA2 (0.42) PDE4APDE4BPDE4CPDE4DGRIA2
SCHEMBL7898214 0.73 GRIA2 (0.47) PDE4APDE4BPDE4CPDE4DGRIA2
SCHEMBL584842 0.73 GRIA2 (0.47) PDE4APDE4BPDE4CPDE4DGRIA2
SCHEMBL7899654 0.73 GRIA2 (0.49) PDE4APDE4BPDE4CPDE4DGRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
WO-2010115952-A1 INDANE DERIVATIVES N.V. ORGANON (NL) 2010-10-14 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-20120202781-A1 INDANE DERIVATIVES CHRNA5, CHRNA2, GRIK5 PDE4A 2027/4885PDE4B 2313/4885PDE4C 3096/4885

“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.