SCHEMBL3312079

SCHEMBL3312079

COc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2COCC(=O)N2CCC3(CC2)CCC(c2ccccc2)(N2CC(F)(F)C2)CC3)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.37
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
GHSR Q92847 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3312085 1.00 BDKRB1 (0.37) BDKRB1CYP2D6CYP3A4USP2ALDH1A1
SCHEMBL3310098 0.94 BDKRB1 (0.40) BDKRB1CYP2D6CYP3A4USP2ALDH1A1
SCHEMBL3314543 0.93 BDKRB1 (0.39) BDKRB1CYP2D6CYP3A4USP2ALDH1A1
SCHEMBL3314535 0.93 BDKRB1 (0.39) BDKRB1CYP2D6CYP3A4USP2ALDH1A1
SCHEMBL3313142 0.88 BDKRB1 (0.37) BDKRB1CYP3A4ALDH1A1TSHR
SCHEMBL3311026 0.86 OPRM1 (0.44) BDKRB1
SCHEMBL3409952 0.86 BDKRB1 (0.44) BDKRB1NPC1RAB9A
SCHEMBL3311024 0.86 OPRM1 (0.44) BDKRB1
SCHEMBL5127947 0.84 BDKRB1 (0.42) BDKRB1ALDH1A1NPC1RAB9A
SCHEMBL3413429 0.83 BDKRB1 (0.45) BDKRB1

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 1/4885CYP2D6 844/4885CYP3A4 1642/4885

“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.