SCHEMBL5426313

SCHEMBL5426313

CCCCS(=O)(=O)N1CCCC2(CCN(Cc3ccc(Oc4ccccc4)cc3)C2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.39
HCRTR1 O43613 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR5 P51681 12/20 0.38
RIPK1 Q13546 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL5430020 0.87 MEN1 (0.44) HCRTR2HCRTR1MEN1KMT2ARIPK1
SCHEMBL5430005 0.84 MEN1 (0.40) HCRTR2HCRTR1MEN1KMT2ACCR5
SCHEMBL5420625 0.83 MEN1 (0.40) HCRTR2HCRTR1MEN1KMT2ACCR5
SCHEMBL5425021 0.82 NR3C1 (0.45) KMT2ACYP3A4CYP2D6
SCHEMBL5423453 0.82 NR3C1 (0.39) HCRTR2HCRTR1MEN1KMT2ARIPK1
SCHEMBL5427290 0.82 LMNA (0.50) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL5429847 0.81 LIPE (0.43) HCRTR2HCRTR1MEN1KMT2ARIPK1
SCHEMBL5431833 0.81 HCRTR2 (0.47) HCRTR2HCRTR1MEN1KMT2ARIPK1
SCHEMBL5701282 0.80 HCRTR2 (0.39) HCRTR2HCRTR1MEN1KMT2ACCR5
SCHEMBL5428771 0.80 NR3C1 (0.39) HCRTR2HCRTR1MEN1KMT2ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275990-A1 Heterocyclic Spiro Compound ONO PHARMACEUTICAL CO., LTD. 2007-11-29 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-20070275990-A1 Heterocyclic Spiro Compound NR3C2, CBR1, CBR3 HCRTR2 968/4885HCRTR1 405/4885MEN1 995/4885

“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.