SCHEMBL3314516

SCHEMBL3314516

Cc1cc(S(=O)(=O)N2CCCCC2CCC(=O)N2CCC3(CC2)CCC(c2cccc(F)c2)(N2CCCC2)CC3)c(C)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
EPHX2 P34913 1/20 0.32
HSD11B1 P28845 1/20 0.32
USP2 O75604 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL3412223 0.92 BDKRB1 (0.36) BDKRB1HCRTR1HCRTR2ALDH1A1MAPT
SCHEMBL5121357 0.88 HCRTR1 (0.39) BDKRB1HCRTR1HCRTR2ALDH1A1MAPT
SCHEMBL3404248 0.83 HCRTR1 (0.38) BDKRB1HCRTR1HCRTR2MAPTTP53
SCHEMBL3311493 0.83 OPRM1 (0.45) BDKRB1HCRTR1HCRTR2
SCHEMBL3407195 0.83 HCRTR1 (0.39) BDKRB1HCRTR1HCRTR2
SCHEMBL12694771 0.81 NPC1 (0.36) BDKRB1ALDH1A1USP2
SCHEMBL3406175 0.80 BDKRB1 (0.41) BDKRB1HCRTR1HCRTR2
SCHEMBL3311065 0.79 OPRM1 (0.41) BDKRB1HCRTR1HCRTR2
SCHEMBL3408823 0.79 HCRTR1 (0.36) BDKRB1HCRTR1HCRTR2ALDH1A1MAPT
SCHEMBL12694732 0.79 HSD17B10 (0.35) ALDH1A1PSEN1PSEN2APH1BNCSTN

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 1/4885HCRTR1 423/4885HCRTR2 737/4885

“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.