SCHEMBL3318290

SCHEMBL3318290

O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N1CCC2(CC1)CCC(c1cccc(F)c1)(N1CCCC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.46
BDKRB2 P30411 7/20 0.46
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3405377 0.89 RAB9A (0.45) BDKRB1BDKRB2RAB9AMEN1KMT2A
SCHEMBL3311108 0.81 BDKRB1 (0.47) BDKRB1BDKRB2RAB9AMEN1KMT2A
SCHEMBL3410238 0.81 BDKRB1 (0.47) BDKRB1BDKRB2RAB9AMEN1KMT2A
SCHEMBL3404305 0.81 RAB9A (0.50) BDKRB1BDKRB2RAB9AMEN1KMT2A
SCHEMBL3411012 0.77 BDKRB1 (0.44) BDKRB1BDKRB2RAB9AMEN1KMT2A
SCHEMBL3313124 0.76 BDKRB1 (0.44) BDKRB1BDKRB2RAB9AMEN1KMT2A
SCHEMBL4305019 0.76 BDKRB1 (0.49) BDKRB1BDKRB2RAB9AMEN1KMT2A
SCHEMBL3410941 0.73 BDKRB1 (0.49) BDKRB1BDKRB2
SCHEMBL700245 0.73 BDKRB1 (0.49) BDKRB1BDKRB2MEN1KMT2A
SCHEMBL4374587 0.73 BDKRB1 (0.47) BDKRB1BDKRB2RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US claimed
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN BDKRB1 1/4885BDKRB2 2/4885RAB9A 924/4885

“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.