SCHEMBL3314535

SCHEMBL3314535

COc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2COCC(=O)N2CCC3(CC2)CCC(c2ccccc2)(N2CCC2)CC3)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.39
CYP2D6 P10635 3/20 0.37
USP2 O75604 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPY1R P25929 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL3314543 1.00 BDKRB1 (0.39) BDKRB1CYP2D6USP2CYP3A4CYP1A2
SCHEMBL3310098 0.99 BDKRB1 (0.40) BDKRB1CYP2D6USP2CYP3A4CYP1A2
SCHEMBL3312079 0.93 BDKRB1 (0.37) BDKRB1CYP2D6USP2CYP3A4CYP1A2
SCHEMBL3312085 0.93 BDKRB1 (0.37) BDKRB1CYP2D6USP2CYP3A4CYP1A2
SCHEMBL3313142 0.92 BDKRB1 (0.37) BDKRB1CYP3A4ALDH1A1HSD17B10
SCHEMBL3409952 0.90 BDKRB1 (0.44) BDKRB1NPY1RKCNH2NPC1RAB9A
SCHEMBL3311026 0.89 OPRM1 (0.44) BDKRB1
SCHEMBL3311024 0.89 OPRM1 (0.44) BDKRB1
SCHEMBL5127947 0.87 BDKRB1 (0.42) BDKRB1ALDH1A1NPC1RAB9A
SCHEMBL3408822 0.86 CYP3A4 (0.40) BDKRB1CYP2D6USP2CYP3A4CYP1A2

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 844/4885USP2 4868/4885

“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.